N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen

C12H30N2 — CID 142089366

IUPACN-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
SMILESCC(C)NCCCNC1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C12H26N2.2H2/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12;;/h11-14H,3-10H2,1-2H3;2*1H
InChIKeyRSBJQLUHUIWMAQ-UHFFFAOYSA-N
MW202.39 g/mol
LogP2.79
Rot. Bonds6

About N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen

N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen (PubChem CID 142089366) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
PubChem CID142089366
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC NameN-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
SMILESCC(C)NCCCNC1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C12H26N2.2H2/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12;;/h11-14H,3-10H2,1-2H3;2*1H
InChIKeyRSBJQLUHUIWMAQ-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
N-dodecylcyclohexanamine
CID 3679395
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
CID 100984635

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
The IUPAC name of N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen (CID 142089366) is N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen is CC(C)NCCCNC1CCCCC1.[H][H].[H][H].
What is the InChIKey of N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
The InChIKey is RSBJQLUHUIWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.2H2/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12;;/h11-14H,3-10H2,1-2H3;2*1H.
What are the key properties of N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen has a molecular weight of 202.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 142089366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).