4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane

C15H35N3 — CID 171641351

IUPAC4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
SMILESCCC.CCN1CCN(C2CCC(N)CC2)CC1.[H][H]
InChIInChI=1S/C12H25N3.C3H8.H2/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-3-2;/h11-12H,2-10,13H2,1H3;3H2,1-2H3;1H
InChIKeyQFVKFTVUCQSFRH-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane

4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane (PubChem CID 171641351) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
PubChem CID171641351
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Name4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
SMILESCCC.CCN1CCN(C2CCC(N)CC2)CC1.[H][H]
InChIInChI=1S/C12H25N3.C3H8.H2/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-3-2;/h11-12H,2-10,13H2,1H3;3H2,1-2H3;1H
InChIKeyQFVKFTVUCQSFRH-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 58153963
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
CID 171508679
4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 138683529
4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 119057158
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane (CID 171641351) is 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane is CCC.CCN1CCN(C2CCC(N)CC2)CC1.[H][H].
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane?
The InChIKey is QFVKFTVUCQSFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C3H8.H2/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-3-2;/h11-12H,2-10,13H2,1H3;3H2,1-2H3;1H.
What are the key properties of 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane?
4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane has a molecular weight of 257.47 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane is sourced from PubChem (CID 171641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).