1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine

C13H27N3 — CID 173118014

IUPAC1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine
SMILESCN(C)C1CCN(NCC2CCCCC2)C1
InChIInChI=1S/C13H27N3/c1-15(2)13-8-9-16(11-13)14-10-12-6-4-3-5-7-12/h12-14H,3-11H2,1-2H3
InChIKeyBIZGTYINBFWQKY-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.71
Rot. Bonds4

About 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine

1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine (PubChem CID 173118014) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine
PubChem CID173118014
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine
SMILESCN(C)C1CCN(NCC2CCCCC2)C1
InChIInChI=1S/C13H27N3/c1-15(2)13-8-9-16(11-13)14-10-12-6-4-3-5-7-12/h12-14H,3-11H2,1-2H3
InChIKeyBIZGTYINBFWQKY-UHFFFAOYSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine
CID 139373352
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
1-tert-butyl-2-(cyclohexylmethyl)-1-methylhydrazine
CID 129238620
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
N,N-dimethyl-1-pyrrolidin-1-ylpyrrolidin-3-amine
CID 57226950
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
CID 127491617
2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
CID 63165145
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine?
The IUPAC name of 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine (CID 173118014) is 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine.
What is the SMILES notation for 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine?
The canonical SMILES for 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine is CN(C)C1CCN(NCC2CCCCC2)C1.
What is the InChIKey of 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine?
The InChIKey is BIZGTYINBFWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(2)13-8-9-16(11-13)14-10-12-6-4-3-5-7-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine?
1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine is sourced from PubChem (CID 173118014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).