4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine

C13H29N3 — CID 43585175

IUPAC4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCC(C)CC(CN)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-11(2)9-13(10-14)16-7-5-15(6-8-16)12(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyMLYMXQLXLNSPGH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds5

About 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine

4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine (PubChem CID 43585175) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
PubChem CID43585175
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCC(C)CC(CN)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-11(2)9-13(10-14)16-7-5-15(6-8-16)12(3)4/h11-13H,5-10,14H2,1-4H3
InChIKeyMLYMXQLXLNSPGH-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
CID 55117502
4-methyl-2-(4-methylpiperidin-1-yl)pentan-1-amine
CID 16783937
2-(4,4-diethylpiperidin-1-yl)-4-methylpentan-1-amine
CID 63156923
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585844
4-amino-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66427753
2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine
CID 43592633
2-(5-azaspiro[2.3]hexan-5-yl)-4-methylpentan-1-amine
CID 79678047
1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
CID 58786587
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpentan-1-amine
CID 79940778
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
1-pentan-3-yl-4-propan-2-yl-1,4-diazepane
CID 168909794
4-amino-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66430565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine (CID 43585175) is 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine is CC(C)CC(CN)N1CCN(C(C)C)CC1.
What is the InChIKey of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
The InChIKey is MLYMXQLXLNSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)9-13(10-14)16-7-5-15(6-8-16)12(3)4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 43585175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).