(3S)-1-(2-methylpentyl)pyrrolidin-3-amine

C10H22N2 — CID 115302330

IUPAC(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
SMILESCCCC(C)CN1CC[C@H](N)C1
InChIInChI=1S/C10H22N2/c1-3-4-9(2)7-12-6-5-10(11)8-12/h9-10H,3-8,11H2,1-2H3/t9?,10-/m0/s1
InChIKeyDCTLWRVJMPZDLC-AXDSSHIGSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds4

About (3S)-1-(2-methylpentyl)pyrrolidin-3-amine

(3S)-1-(2-methylpentyl)pyrrolidin-3-amine (PubChem CID 115302330) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (3S)-1-(2-methylpentyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
PubChem CID115302330
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
SMILESCCCC(C)CN1CC[C@H](N)C1
InChIInChI=1S/C10H22N2/c1-3-4-9(2)7-12-6-5-10(11)8-12/h9-10H,3-8,11H2,1-2H3/t9?,10-/m0/s1
InChIKeyDCTLWRVJMPZDLC-AXDSSHIGSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
3-bromo-1-(2-methylpentyl)piperidine
CID 80679524
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpentyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2-methylpentyl)pyrrolidin-3-amine (CID 115302330) is (3S)-1-(2-methylpentyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2-methylpentyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2-methylpentyl)pyrrolidin-3-amine is CCCC(C)CN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-(2-methylpentyl)pyrrolidin-3-amine?
The InChIKey is DCTLWRVJMPZDLC-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-4-9(2)7-12-6-5-10(11)8-12/h9-10H,3-8,11H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (3S)-1-(2-methylpentyl)pyrrolidin-3-amine?
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpentyl)pyrrolidin-3-amine is sourced from PubChem (CID 115302330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).