[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine

C13H28N2 — CID 155370662

IUPAC[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine
SMILESCCCC(C)(CC)N1CC(C)C(CN)C1
InChIInChI=1S/C13H28N2/c1-5-7-13(4,6-2)15-9-11(3)12(8-14)10-15/h11-12H,5-10,14H2,1-4H3
InChIKeyOMGOEHFUWHUUGW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds5

About [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine

[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 155370662) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID155370662
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine
SMILESCCCC(C)(CC)N1CC(C)C(CN)C1
InChIInChI=1S/C13H28N2/c1-5-7-13(4,6-2)15-9-11(3)12(8-14)10-15/h11-12H,5-10,14H2,1-4H3
InChIKeyOMGOEHFUWHUUGW-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-methylhexan-3-yl)piperidin-4-ol
CID 129310394
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
(1R,5S)-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-1-amine
CID 139362761
2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537436
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 21341206
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 24689599
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
N,3-dimethyl-1-(3-methylpentan-3-yl)piperidin-4-amine
CID 106329171
2-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 43562524

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine (CID 155370662) is [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine is CCCC(C)(CC)N1CC(C)C(CN)C1.
What is the InChIKey of [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is OMGOEHFUWHUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-13(4,6-2)15-9-11(3)12(8-14)10-15/h11-12H,5-10,14H2,1-4H3.
What are the key properties of [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine?
[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 155370662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).