1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine

C12H27N3 — CID 63166510

IUPAC1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)CC(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C12H27N3/c1-10(2)7-12(8-13)15-6-5-11(9-15)14(3)4/h10-12H,5-9,13H2,1-4H3
InChIKeyLDKJYQJPAIQHIM-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine

1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166510) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166510
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)CC(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C12H27N3/c1-10(2)7-12(8-13)15-6-5-11(9-15)14(3)4/h10-12H,5-9,13H2,1-4H3
InChIKeyLDKJYQJPAIQHIM-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585844
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
1-(4-amino-3-methylbutan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 79408643
4-methyl-2-(4-methylpiperidin-1-yl)pentan-1-amine
CID 16783937
1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81463800
1-(1-amino-3-methoxypropan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 103226846
1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166152
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpentan-1-amine
CID 79940778
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
CID 66391877
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 43585175

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine (CID 63166510) is 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine is CC(C)CC(CN)N1CCC(N(C)C)C1.
What is the InChIKey of 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LDKJYQJPAIQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)7-12(8-13)15-6-5-11(9-15)14(3)4/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).