3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine

C16H33N3 — CID 55141796

IUPAC3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
SMILESCCCCN(C(C)CC)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C16H33N3/c1-4-6-10-19(14(3)5-2)16(12-17)9-11-18(13-16)15-7-8-15/h14-15H,4-13,17H2,1-3H3
InChIKeyUHWYGWXVBKQVLD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds8

About 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine

3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine (PubChem CID 55141796) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
PubChem CID55141796
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
SMILESCCCCN(C(C)CC)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C16H33N3/c1-4-6-10-19(14(3)5-2)16(12-17)9-11-18(13-16)15-7-8-15/h14-15H,4-13,17H2,1-3H3
InChIKeyUHWYGWXVBKQVLD-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-butyl-1-cyclopropyl-N-ethylpyrrolidin-3-amine
CID 62975638
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 62977877
3-(aminomethyl)-1-cyclopropyl-N-ethyl-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
CID 62976391
3-(aminomethyl)-1-cyclopropyl-N,N-diethylpyrrolidin-3-amine
CID 62975820
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,1-dioxothian-3-amine
CID 63922457
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 62977319
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197
2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63466831
3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43272772

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine (CID 55141796) is 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine is CCCCN(C(C)CC)C1(CN)CCN(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is UHWYGWXVBKQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-6-10-19(14(3)5-2)16(12-17)9-11-18(13-16)15-7-8-15/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine?
3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 55141796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).