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

C13H29N3 — CID 62431627

IUPACN-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCNCCCC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)15-8-10-16(11-9-15)13(3)6-5-7-14-4/h12-14H,5-11H2,1-4H3
InChIKeyHXWNKBOUEOYQFG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds6

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

N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine (PubChem CID 62431627) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
PubChem CID62431627
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCNCCCC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)15-8-10-16(11-9-15)13(3)6-5-7-14-4/h12-14H,5-11H2,1-4H3
InChIKeyHXWNKBOUEOYQFG-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
CID 62432463
4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 62427995
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
CID 62431308
N-ethyl-4-thiomorpholin-4-ylpentan-1-amine
CID 62417328
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 102968095
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpentan-1-amine
CID 63025679
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
N-methyl-3-(4-methylpiperidin-1-yl)butan-1-amine
CID 62438267
N-methyl-1-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 170298365

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine (CID 62431627) is N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine is CNCCCC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
The InChIKey is HXWNKBOUEOYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)15-8-10-16(11-9-15)13(3)6-5-7-14-4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine?
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 62431627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).