N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H34N2 — CID 63956910

IUPACN-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(CC1CC1)CC(C)(CC)CNCC(C)C
InChIInChI=1S/C16H34N2/c1-6-16(5,12-17-10-14(3)4)13-18(7-2)11-15-8-9-15/h14-15,17H,6-13H2,1-5H3
InChIKeyPWSHFHXJNYOCRM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds10

About N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63956910) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63956910
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(CC1CC1)CC(C)(CC)CNCC(C)C
InChIInChI=1S/C16H34N2/c1-6-16(5,12-17-10-14(3)4)13-18(7-2)11-15-8-9-15/h14-15,17H,6-13H2,1-5H3
InChIKeyPWSHFHXJNYOCRM-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
2-ethyl-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 55257102
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
CID 55107237
1-[cyclopropylmethyl(ethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336221
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63956910) is N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CCN(CC1CC1)CC(C)(CC)CNCC(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is PWSHFHXJNYOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(5,12-17-10-14(3)4)13-18(7-2)11-15-8-9-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63956910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).