3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine

C17H29N3 — CID 43272771

IUPAC3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
SMILESCCC(C)N(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-4-15(2)19(3)17(13-18)10-11-20(14-17)12-16-8-6-5-7-9-16/h5-9,15H,4,10-14,18H2,1-3H3
InChIKeyATWKRTPPMQGVPZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

About 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine

3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine (PubChem CID 43272771) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
PubChem CID43272771
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
SMILESCCC(C)N(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-4-15(2)19(3)17(13-18)10-11-20(14-17)12-16-8-6-5-7-9-16/h5-9,15H,4,10-14,18H2,1-3H3
InChIKeyATWKRTPPMQGVPZ-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
CID 81035394
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
3-(aminomethyl)-1-benzyl-N-methyl-N-propylpiperidin-3-amine
CID 43271053
N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 113227822
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251
3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
CID 83693634
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
2-[1-benzyl-3-(diethylamino)pyrrolidin-3-yl]acetic acid
CID 64529144
[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
CID 54376302
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine (CID 43272771) is 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine is CCC(C)N(C)C1(CN)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine?
The InChIKey is ATWKRTPPMQGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-15(2)19(3)17(13-18)10-11-20(14-17)12-16-8-6-5-7-9-16/h5-9,15H,4,10-14,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine?
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 43272771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).