N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine

C15H29N3 — CID 55056217

IUPACN-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)CN1CCN(C2CC2)CC1
InChIInChI=1S/C15H29N3/c1-15(2,11-16-13-3-4-13)12-17-7-9-18(10-8-17)14-5-6-14/h13-14,16H,3-12H2,1-2H3
InChIKeyCULAYACBZJLJBH-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds6

About N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 55056217) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID55056217
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)CN1CCN(C2CC2)CC1
InChIInChI=1S/C15H29N3/c1-15(2,11-16-13-3-4-13)12-17-7-9-18(10-8-17)14-5-6-14/h13-14,16H,3-12H2,1-2H3
InChIKeyCULAYACBZJLJBH-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 62257753
N-[2,2-dimethyl-3-(3-methylpiperidin-1-yl)propyl]cyclopropanamine
CID 62263551
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
N-[3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 62256460
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79945391
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79924588
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 62272448

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine (CID 55056217) is N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine is CC(C)(CNC1CC1)CN1CCN(C2CC2)CC1.
What is the InChIKey of N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is CULAYACBZJLJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-15(2,11-16-13-3-4-13)12-17-7-9-18(10-8-17)14-5-6-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 55056217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).