1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine

C14H31N3 — CID 155741227

IUPAC1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
SMILESCNCCCCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(2)16-14-7-11-17(12-8-14)10-6-4-5-9-15-3/h13-16H,4-12H2,1-3H3
InChIKeyLEWBHWCFYLNFHO-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.84
Rot. Bonds8

About 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine

1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 155741227) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID155741227
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
SMILESCNCCCCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(2)16-14-7-11-17(12-8-14)10-6-4-5-9-15-3/h13-16H,4-12H2,1-3H3
InChIKeyLEWBHWCFYLNFHO-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
CID 165146040
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine (CID 155741227) is 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine is CNCCCCCN1CCC(NC(C)C)CC1.
What is the InChIKey of 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is LEWBHWCFYLNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)16-14-7-11-17(12-8-14)10-6-4-5-9-15-3/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine?
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 241.42 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 155741227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).