N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine

C13H30N2 — CID 60850483

IUPACN'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
SMILESCCC(CC)N(C)CCCCNC(C)C
InChIInChI=1S/C13H30N2/c1-6-13(7-2)15(5)11-9-8-10-14-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyIFRPLSDXQFHLCR-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds9

About N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine

N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine (PubChem CID 60850483) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
PubChem CID60850483
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
SMILESCCC(CC)N(C)CCCCNC(C)C
InChIInChI=1S/C13H30N2/c1-6-13(7-2)15(5)11-9-8-10-14-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyIFRPLSDXQFHLCR-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054356
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N-(3-bromopropyl)-N-methylpentan-3-amine
CID 61286932
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
CID 112665724
N-propan-2-ylicosan-1-amine
CID 87246132
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine (CID 60850483) is N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine is CCC(CC)N(C)CCCCNC(C)C.
What is the InChIKey of N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine?
The InChIKey is IFRPLSDXQFHLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-13(7-2)15(5)11-9-8-10-14-12(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine?
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 60850483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).