2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine

C14H30N2 — CID 80557534

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CC(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-8-14(4,11-15)16-9-12(2)13(3)10-16/h12-13H,5-11,15H2,1-4H3
InChIKeyBGMFMIWNDJXEPS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds6

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine (PubChem CID 80557534) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
PubChem CID80557534
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CC(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-8-14(4,11-15)16-9-12(2)13(3)10-16/h12-13H,5-11,15H2,1-4H3
InChIKeyBGMFMIWNDJXEPS-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
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

2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
CID 80557366
2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
CID 63465976

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine (CID 80557534) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine is CCCCCC(C)(CN)N1CC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine?
The InChIKey is BGMFMIWNDJXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-8-14(4,11-15)16-9-12(2)13(3)10-16/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine is sourced from PubChem (CID 80557534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).