N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine

C14H28N2 — CID 62424497

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCC1CC(C)CN(C(C)CCNC2CC2)C1
InChIInChI=1S/C14H28N2/c1-11-8-12(2)10-16(9-11)13(3)6-7-15-14-4-5-14/h11-15H,4-10H2,1-3H3
InChIKeyYHEOZIABUMVJNC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds5

About N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine

N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine (PubChem CID 62424497) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
PubChem CID62424497
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCC1CC(C)CN(C(C)CCNC2CC2)C1
InChIInChI=1S/C14H28N2/c1-11-8-12(2)10-16(9-11)13(3)6-7-15-14-4-5-14/h11-15H,4-10H2,1-3H3
InChIKeyYHEOZIABUMVJNC-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 79183577
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine
CID 55215454
N-[2-(3,5-dimethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62423227
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
CID 124669022
N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
CID 55249022
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
CID 114490726
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62557815
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine (CID 62424497) is N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine is CC1CC(C)CN(C(C)CCNC2CC2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine?
The InChIKey is YHEOZIABUMVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-8-12(2)10-16(9-11)13(3)6-7-15-14-4-5-14/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine?
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62424497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).