1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine

C16H33N3 — CID 62623024

IUPAC1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCN1CCN(C2CC2)CC1)C(C)(C)C
InChIInChI=1S/C16H33N3/c1-5-17-15(16(2,3)4)8-9-18-10-12-19(13-11-18)14-6-7-14/h14-15,17H,5-13H2,1-4H3
InChIKeyNHRGWZDNVQJLFF-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine

1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine (PubChem CID 62623024) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
PubChem CID62623024
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCN1CCN(C2CC2)CC1)C(C)(C)C
InChIInChI=1S/C16H33N3/c1-5-17-15(16(2,3)4)8-9-18-10-12-19(13-11-18)14-6-7-14/h14-15,17H,5-13H2,1-4H3
InChIKeyNHRGWZDNVQJLFF-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103502662
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64827038
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62624613
N-ethyl-4,4-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-amine
CID 66371772
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 62624096
1-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-3-amine
CID 55098190
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62556729

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine (CID 62623024) is 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine is CCNC(CCN1CCN(C2CC2)CC1)C(C)(C)C.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The InChIKey is NHRGWZDNVQJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-17-15(16(2,3)4)8-9-18-10-12-19(13-11-18)14-6-7-14/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 62623024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).