(2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine

C14H30N2O — CID 131845374

IUPAC(2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine
SMILESCCCCC(CCCC)(OC)[C@@H]1CCCN1N
InChIInChI=1S/C14H30N2O/c1-4-6-10-14(17-3,11-7-5-2)13-9-8-12-16(13)15/h13H,4-12,15H2,1-3H3/t13-/m0/s1
InChIKeyBDPUHIIOELBFDW-ZDUSSCGKSA-N
MW242.41 g/mol
LogP3.09
Rot. Bonds8

About (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine

(2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine (PubChem CID 131845374) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine
PubChem CID131845374
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine
SMILESCCCCC(CCCC)(OC)[C@@H]1CCCN1N
InChIInChI=1S/C14H30N2O/c1-4-6-10-14(17-3,11-7-5-2)13-9-8-12-16(13)15/h13H,4-12,15H2,1-3H3/t13-/m0/s1
InChIKeyBDPUHIIOELBFDW-ZDUSSCGKSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
CID 89390542
O-[2-(1-ethylpyrrolidin-2-yl)propan-2-yl]hydroxylamine
CID 117104736
(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
CID 146553988
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
(1-aminopyrrolidin-2-yl)methanol
CID 13311692
2-methoxypyrrolidin-1-amine
CID 67193307
1-[2-(5-methylnonan-5-yl)pyrrolidin-1-yl]but-2-yn-1-one
CID 155231817
4-pentylpiperidin-1-amine
CID 69326723
1-aminopyrrolidin-2-ol
CID 54293599
3-methoxyheptan-3-amine
CID 87397184
1-butyl-2-tert-butylpiperidine
CID 58060832
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine?
The IUPAC name of (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine (CID 131845374) is (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine is CCCCC(CCCC)(OC)[C@@H]1CCCN1N.
What is the InChIKey of (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine?
The InChIKey is BDPUHIIOELBFDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-10-14(17-3,11-7-5-2)13-9-8-12-16(13)15/h13H,4-12,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine?
(2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine has a molecular weight of 242.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methoxynonan-5-yl)pyrrolidin-1-amine is sourced from PubChem (CID 131845374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).