(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

C13H24N2O — CID 97068723

IUPAC(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine
SMILESC1CC(N[C@H]2CCN(CC3CC3)C2)CCO1
InChIInChI=1S/C13H24N2O/c1-2-11(1)9-15-6-3-13(10-15)14-12-4-7-16-8-5-12/h11-14H,1-10H2/t13-/m0/s1
InChIKeyDVZFSOAQQXQEBW-ZDUSSCGKSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds4

About (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine

(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 97068723) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID97068723
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine
SMILESC1CC(N[C@H]2CCN(CC3CC3)C2)CCO1
InChIInChI=1S/C13H24N2O/c1-2-11(1)9-15-6-3-13(10-15)14-12-4-7-16-8-5-12/h11-14H,1-10H2/t13-/m0/s1
InChIKeyDVZFSOAQQXQEBW-ZDUSSCGKSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
1-(cyclopropylmethyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115901408
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
4-(oxan-4-ylmethyl)morpholine
CID 122244931
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
4-chloro-3-methyl-1-(oxan-4-ylmethyl)piperidine
CID 114682309
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
1-(cyclopropylmethyl)-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 115718359
cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 172908968

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine (CID 97068723) is (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine is C1CC(N[C@H]2CCN(CC3CC3)C2)CCO1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is DVZFSOAQQXQEBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-11(1)9-15-6-3-13(10-15)14-12-4-7-16-8-5-12/h11-14H,1-10H2/t13-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine?
(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 97068723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).