1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine

C13H29N3 — CID 63166152

IUPAC1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCCC(C)C(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-6-11(2)13(9-14)16-8-7-12(10-16)15(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyRWVARNVINKBBDW-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds6

About 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine

1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166152) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166152
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCCC(C)C(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-6-11(2)13(9-14)16-8-7-12(10-16)15(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyRWVARNVINKBBDW-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylbutan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 79408643
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
CID 62995232
3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 60915047
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine
CID 62331005
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
CID 143456781
4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 116501647
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585844

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine (CID 63166152) is 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine is CCCC(C)C(CN)N1CCC(N(C)C)C1.
What is the InChIKey of 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is RWVARNVINKBBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-6-11(2)13(9-14)16-8-7-12(10-16)15(3)4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).