1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine

C17H32N2 — CID 79859850

IUPAC1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
SMILESCCNC1C(N(CC2CC2)CC2CC2)CCC1(C)C
InChIInChI=1S/C17H32N2/c1-4-18-16-15(9-10-17(16,2)3)19(11-13-5-6-13)12-14-7-8-14/h13-16,18H,4-12H2,1-3H3
InChIKeyWWDXMOTWRVQAKZ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds7

About 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine

1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine (PubChem CID 79859850) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
PubChem CID79859850
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
SMILESCCNC1C(N(CC2CC2)CC2CC2)CCC1(C)C
InChIInChI=1S/C17H32N2/c1-4-18-16-15(9-10-17(16,2)3)19(11-13-5-6-13)12-14-7-8-14/h13-16,18H,4-12H2,1-3H3
InChIKeyWWDXMOTWRVQAKZ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79855110
1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79859559
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol
CID 79855728
2-N-ethyl-1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 79829226
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 79828545
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine
CID 79859662
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828933

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine (CID 79859850) is 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine is CCNC1C(N(CC2CC2)CC2CC2)CCC1(C)C.
What is the InChIKey of 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
The InChIKey is WWDXMOTWRVQAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-18-16-15(9-10-17(16,2)3)19(11-13-5-6-13)12-14-7-8-14/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).