N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine

C15H31N3 — CID 63913711

IUPACN-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCN(C)C(C)(C)C1)C1CC1
InChIInChI=1S/C15H31N3/c1-5-8-16-14(13-6-7-13)11-18-10-9-17(4)15(2,3)12-18/h13-14,16H,5-12H2,1-4H3
InChIKeyNDPYNLRLJKTCQR-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 63913711) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID63913711
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCN(C)C(C)(C)C1)C1CC1
InChIInChI=1S/C15H31N3/c1-5-8-16-14(13-6-7-13)11-18-10-9-17(4)15(2,3)12-18/h13-14,16H,5-12H2,1-4H3
InChIKeyNDPYNLRLJKTCQR-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63610034
2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanenitrile
CID 63634360
1-cyclopropyl-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]ethanamine
CID 63620008
2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
CID 64791406
N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63611239
N-[1-cyclopropyl-2-(4-ethoxypiperidin-1-yl)ethyl]propan-1-amine
CID 63914310
N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
CID 63915143
1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746159
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
1-[2-cyclopropyl-2-(propylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463979
N-[1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 104746643
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608756

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine (CID 63913711) is N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine is CCCNC(CN1CCN(C)C(C)(C)C1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is NDPYNLRLJKTCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-8-16-14(13-6-7-13)11-18-10-9-17(4)15(2,3)12-18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63913711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).