1-(2-methylnonan-2-yl)pyrrolidin-3-amine

C14H30N2 — CID 130338700

IUPAC1-(2-methylnonan-2-yl)pyrrolidin-3-amine
SMILESCCCCCCCC(C)(C)N1CCC(N)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-10-14(2,3)16-11-9-13(15)12-16/h13H,4-12,15H2,1-3H3
InChIKeyNHNHXDYQUMRADP-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.16
Rot. Bonds7

About 1-(2-methylnonan-2-yl)pyrrolidin-3-amine

1-(2-methylnonan-2-yl)pyrrolidin-3-amine (PubChem CID 130338700) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2-methylnonan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methylnonan-2-yl)pyrrolidin-3-amine
PubChem CID130338700
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(2-methylnonan-2-yl)pyrrolidin-3-amine
SMILESCCCCCCCC(C)(C)N1CCC(N)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-10-14(2,3)16-11-9-13(15)12-16/h13H,4-12,15H2,1-3H3
InChIKeyNHNHXDYQUMRADP-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide
CID 67680706
1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
CID 130346741
5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine
CID 130338733
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnonan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methylnonan-2-yl)pyrrolidin-3-amine (CID 130338700) is 1-(2-methylnonan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methylnonan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methylnonan-2-yl)pyrrolidin-3-amine is CCCCCCCC(C)(C)N1CCC(N)C1.
What is the InChIKey of 1-(2-methylnonan-2-yl)pyrrolidin-3-amine?
The InChIKey is NHNHXDYQUMRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-7-8-10-14(2,3)16-11-9-13(15)12-16/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(2-methylnonan-2-yl)pyrrolidin-3-amine?
1-(2-methylnonan-2-yl)pyrrolidin-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnonan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 130338700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).