N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine

C16H32N2 — CID 62257753

IUPACN-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
SMILESCCCC1CCN(CC(C)(C)CNC2CC2)CC1
InChIInChI=1S/C16H32N2/c1-4-5-14-8-10-18(11-9-14)13-16(2,3)12-17-15-6-7-15/h14-15,17H,4-13H2,1-3H3
InChIKeyTXYDIAARDIORNR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds7

About N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine

N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine (PubChem CID 62257753) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
PubChem CID62257753
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
SMILESCCCC1CCN(CC(C)(C)CNC2CC2)CC1
InChIInChI=1S/C16H32N2/c1-4-5-14-8-10-18(11-9-14)13-16(2,3)12-17-15-6-7-15/h14-15,17H,4-13H2,1-3H3
InChIKeyTXYDIAARDIORNR-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 55056217
N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
CID 113418855
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751
4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899
1-(2,2-dimethylbutyl)-N-propylpiperidin-4-amine
CID 103461877
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
N-[2,2-dimethyl-3-(3-methylpiperidin-1-yl)propyl]cyclopropanamine
CID 62263551
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
2-methyl-1-(4-propylpiperidin-1-yl)pentan-2-amine
CID 62204904
N-[3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 62256460
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine (CID 62257753) is N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine is CCCC1CCN(CC(C)(C)CNC2CC2)CC1.
What is the InChIKey of N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine?
The InChIKey is TXYDIAARDIORNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-5-14-8-10-18(11-9-14)13-16(2,3)12-17-15-6-7-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine?
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62257753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).