(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine

C8H18N2O — CID 178197928

IUPAC(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine
SMILESCOCCC[C@H]1CNC[C@H]1N
InChIInChI=1S/C8H18N2O/c1-11-4-2-3-7-5-10-6-8(7)9/h7-8,10H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyGHVPDHKKOBIGSP-JGVFFNPUSA-N
MW158.24 g/mol
LogP-0.04
Rot. Bonds4

About (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine

(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine (PubChem CID 178197928) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine
PubChem CID178197928
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine
SMILESCOCCC[C@H]1CNC[C@H]1N
InChIInChI=1S/C8H18N2O/c1-11-4-2-3-7-5-10-6-8(7)9/h7-8,10H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyGHVPDHKKOBIGSP-JGVFFNPUSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
4-(3-methoxypropoxy)pyrrolidin-3-ol
CID 63703164
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
CID 103410771
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
4-(2-fluoropropyl)pyrrolidin-3-amine
CID 115011692
[2-(3-methoxypropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012391
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106469036

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine (CID 178197928) is (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine is COCCC[C@H]1CNC[C@H]1N.
What is the InChIKey of (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine?
The InChIKey is GHVPDHKKOBIGSP-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-4-2-3-7-5-10-6-8(7)9/h7-8,10H,2-6,9H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine?
(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine has a molecular weight of 158.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine is sourced from PubChem (CID 178197928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).