N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine

C16H34N2 — CID 62256297

IUPACN-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)C(C)C1CC1
InChIInChI=1S/C16H34N2/c1-6-10-16(4,12-17-11-7-2)13-18(5)14(3)15-8-9-15/h14-15,17H,6-13H2,1-5H3
InChIKeyLYJKGVLFUCTCGJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds10

About N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine

N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine (PubChem CID 62256297) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
PubChem CID62256297
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)C(C)C1CC1
InChIInChI=1S/C16H34N2/c1-6-10-16(4,12-17-11-7-2)13-18(5)14(3)15-8-9-15/h14-15,17H,6-13H2,1-5H3
InChIKeyLYJKGVLFUCTCGJ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
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-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 61387261
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052
N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
CID 77360899
N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62433017
N-(1-cyclopropylethyl)-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257526
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 63493237
1-N-(1-cyclopropylethyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79810726
2-(cyclopentylmethyl)-2-methyl-N-propylpentan-1-amine
CID 63508725
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
N-(1-cyclopropylethyl)-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62257527

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine (CID 62256297) is N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine is CCCNCC(C)(CCC)CN(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine?
The InChIKey is LYJKGVLFUCTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-10-16(4,12-17-11-7-2)13-18(5)14(3)15-8-9-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine?
N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 62256297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).