3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine

C18H39N3 — CID 107869506

IUPAC3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCN(C(C)C)C1
InChIInChI=1S/C18H39N3/c1-15(2)7-10-21(11-8-16(3)4)18(13-19)9-12-20(14-18)17(5)6/h15-17H,7-14,19H2,1-6H3
InChIKeyVPCWSCBJEOFNSD-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.19
Rot. Bonds9

About 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine

3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 107869506) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID107869506
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCN(C(C)C)C1
InChIInChI=1S/C18H39N3/c1-15(2)7-10-21(11-8-16(3)4)18(13-19)9-12-20(14-18)17(5)6/h15-17H,7-14,19H2,1-6H3
InChIKeyVPCWSCBJEOFNSD-UHFFFAOYSA-N
XLogP3.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 55001386
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
3-(aminomethyl)-N,N-bis(3-methylbutyl)thian-3-amine
CID 107869460
4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 63982455
3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
CID 107869481
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
CID 65078077
3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 79476289
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63726456
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 107397751

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine (CID 107869506) is 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)CCN(CCC(C)C)C1(CN)CCN(C(C)C)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is VPCWSCBJEOFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-15(2)7-10-21(11-8-16(3)4)18(13-19)9-12-20(14-18)17(5)6/h15-17H,7-14,19H2,1-6H3.
What are the key properties of 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine?
3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 297.53 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 107869506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).