N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine

C14H30N2 — CID 115326071

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
SMILESCCC1(CNCCCCC(C)C)CCNC1
InChIInChI=1S/C14H30N2/c1-4-14(8-10-16-12-14)11-15-9-6-5-7-13(2)3/h13,15-16H,4-12H2,1-3H3
InChIKeyQVVRBCWTTMZBFG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds8

About N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine

N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine (PubChem CID 115326071) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
PubChem CID115326071
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
SMILESCCC1(CNCCCCC(C)C)CCNC1
InChIInChI=1S/C14H30N2/c1-4-14(8-10-16-12-14)11-15-9-6-5-7-13(2)3/h13,15-16H,4-12H2,1-3H3
InChIKeyQVVRBCWTTMZBFG-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
CID 115453956
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 63143274
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methylpentan-1-amine
CID 114757500
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
CID 143462559
3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine
CID 114098876
N-[(3-ethylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143321
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine (CID 115326071) is N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine is CCC1(CNCCCCC(C)C)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine?
The InChIKey is QVVRBCWTTMZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-14(8-10-16-12-14)11-15-9-6-5-7-13(2)3/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine?
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine is sourced from PubChem (CID 115326071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).