carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide

C19H42LaN3-3 — CID 172526261

IUPACcarbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide
SMILESCC(C)[N-]C(C)[N-]C(C)C.CN(C)CCCC1CCCC1.[CH3-].[La]
InChIInChI=1S/C10H21N.C8H18N2.CH3.La/c1-11(2)9-5-8-10-6-3-4-7-10;1-6(2)9-8(5)10-7(3)4;;/h10H,3-9H2,1-2H3;6-8H,1-5H3;1H3;/q;-2;-1;
InChIKeyUDIUFAUZHQNUEW-UHFFFAOYSA-N
MW451.47 g/mol
LogP5.87
Rot. Bonds8

About carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide

carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide (PubChem CID 172526261) has the molecular formula C19H42LaN3-3 and a molecular weight of 451.47 g/mol. Its IUPAC name is carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide.

Molecular Properties

Compound Namecarbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide
PubChem CID172526261
Molecular FormulaC19H42LaN3-3
Molecular Weight451.47 g/mol
Exact Mass451.25
IUPAC Namecarbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide
SMILESCC(C)[N-]C(C)[N-]C(C)C.CN(C)CCCC1CCCC1.[CH3-].[La]
InChIInChI=1S/C10H21N.C8H18N2.CH3.La/c1-11(2)9-5-8-10-6-3-4-7-10;1-6(2)9-8(5)10-7(3)4;;/h10H,3-9H2,1-2H3;6-8H,1-5H3;1H3;/q;-2;-1;
InChIKeyUDIUFAUZHQNUEW-UHFFFAOYSA-N
XLogP5.87
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 21034246
3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine
CID 173086070
N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
CID 54609597
4-methylpentylcyclopentane
CID 523530
N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361
N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383
N-cyclobutyl-N-(3-cyclopentylpropyl)cyclopentanamine
CID 175422584
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
2-[3-(dimethylamino)propyl]cycloheptan-1-amine
CID 82398042

Frequently Asked Questions

What is the IUPAC name of carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide?
The IUPAC name of carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide (CID 172526261) is carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide.
What is the SMILES notation for carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide?
The canonical SMILES for carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide is CC(C)[N-]C(C)[N-]C(C)C.CN(C)CCCC1CCCC1.[CH3-].[La].
What is the InChIKey of carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide?
The InChIKey is UDIUFAUZHQNUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H18N2.CH3.La/c1-11(2)9-5-8-10-6-3-4-7-10;1-6(2)9-8(5)10-7(3)4;;/h10H,3-9H2,1-2H3;6-8H,1-5H3;1H3;/q;-2;-1;.
What are the key properties of carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide?
carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide has a molecular weight of 451.47 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide is sourced from PubChem (CID 172526261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).