N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine

C14H28N2 — CID 62437779

IUPACN-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
SMILESCC1CCCN(C(C)CCCNC2CC2)C1
InChIInChI=1S/C14H28N2/c1-12-5-4-10-16(11-12)13(2)6-3-9-15-14-7-8-14/h12-15H,3-11H2,1-2H3
InChIKeyRNJVEJHUFONWTH-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds6

About N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine

N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine (PubChem CID 62437779) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
PubChem CID62437779
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
SMILESCC1CCCN(C(C)CCCNC2CC2)C1
InChIInChI=1S/C14H28N2/c1-12-5-4-10-16(11-12)13(2)6-3-9-15-14-7-8-14/h12-15H,3-11H2,1-2H3
InChIKeyRNJVEJHUFONWTH-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
CID 55249022
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982
N-[4-(3-azaspiro[5.5]undecan-3-yl)pentyl]cyclopropanamine
CID 62930303
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497
N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 56828316
N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
CID 63163241
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
CID 55248637
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
N-[4-(2,2,6,6-tetramethylmorpholin-4-yl)pentyl]cyclopropanamine
CID 102746064

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine (CID 62437779) is N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine is CC1CCCN(C(C)CCCNC2CC2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is RNJVEJHUFONWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-5-4-10-16(11-12)13(2)6-3-9-15-14-7-8-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine?
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 62437779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).