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

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Related Compounds

1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-propan-2-ylcycloheptanamine
CID 42562651
4-N-propan-2-ylcyclohexane-1,4-diamine
CID 23346808
(7S)-1,7-dimethyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
CID 142347871
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
4-N,4-N-dimethyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 66569320
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
CID 167000939
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
1-cyclopentyl-2-methylpropan-1-ol;ethane;N-propan-2-ylcyclopentanamine
CID 145336371
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
N-propan-2-yl-4-pyrrolidin-1-ylcyclohexan-1-amine
CID 178010020
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445

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).