ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen

C12H32N2 — CID 177228203

IUPACethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
SMILESCC.CNC1CCC(NC(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C10H22N2.C2H6.2H2/c1-8(2)12-10-6-4-9(11-3)5-7-10;1-2;;/h8-12H,4-7H2,1-3H3;1-2H3;2*1H
InChIKeySTPSVFBBCYFWSM-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.03
Rot. Bonds3

About ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen

ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen (PubChem CID 177228203) has the molecular formula C12H32N2 and a molecular weight of 204.40 g/mol. Its IUPAC name is ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
PubChem CID177228203
Molecular FormulaC12H32N2
Molecular Weight204.40 g/mol
Exact Mass204.26
IUPAC Nameethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
SMILESCC.CNC1CCC(NC(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C10H22N2.C2H6.2H2/c1-8(2)12-10-6-4-9(11-3)5-7-10;1-2;;/h8-12H,4-7H2,1-3H3;1-2H3;2*1H
InChIKeySTPSVFBBCYFWSM-UHFFFAOYSA-N
XLogP3.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl cyclohexylamine
CID 21609
N,N'-Dibutyl-1,6-hexanediamine
CID 20972
Cyclohexylisopropylamine
CID 62386
N-Cyclohexyl-1,3-propanediamine
CID 18718
N-Butyl cyclohexylamine
CID 24946
N-ethylcyclohexanamine hydrochloride
CID 162937
N,N-Diethyl-1,4-cyclohexanediamine
CID 349884
N-Cyclohexyl-1,2-ethanediamine
CID 21922
N-tert-butylcyclohexylamine
CID 103920
N,N'-bis(3-(ethylamino)propyl)-1,4-cyclohexanediamine
CID 9817295
1-N,4-N-bis[4-(ethylamino)butyl]cyclohexane-1,4-diamine
CID 15407935
N,N'-Bis(2-hexyl)-ethylenediamine
CID 469906

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen?
The IUPAC name of ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen (CID 177228203) is ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen.
What is the SMILES notation for ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen?
The canonical SMILES for ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen is CC.CNC1CCC(NC(C)C)CC1.[H][H].[H][H].
What is the InChIKey of ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen?
The InChIKey is STPSVFBBCYFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C2H6.2H2/c1-8(2)12-10-6-4-9(11-3)5-7-10;1-2;;/h8-12H,4-7H2,1-3H3;1-2H3;2*1H.
What are the key properties of ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen?
ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen has a molecular weight of 204.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen is sourced from PubChem (CID 177228203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).