cyclohexane;N,4-dimethylheptan-2-amine

C15H33N — CID 144521968

IUPACcyclohexane;N,4-dimethylheptan-2-amine
SMILESC1CCCCC1.CCCC(C)CC(C)NC
InChIInChI=1S/C9H21N.C6H12/c1-5-6-8(2)7-9(3)10-4;1-2-4-6-5-3-1/h8-10H,5-7H2,1-4H3;1-6H2
InChIKeyWIJAUSUPJZOAKK-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.76
Rot. Bonds5

About cyclohexane;N,4-dimethylheptan-2-amine

cyclohexane;N,4-dimethylheptan-2-amine (PubChem CID 144521968) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is cyclohexane;N,4-dimethylheptan-2-amine.

Molecular Properties

Compound Namecyclohexane;N,4-dimethylheptan-2-amine
PubChem CID144521968
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Namecyclohexane;N,4-dimethylheptan-2-amine
SMILESC1CCCCC1.CCCC(C)CC(C)NC
InChIInChI=1S/C9H21N.C6H12/c1-5-6-8(2)7-9(3)10-4;1-2-4-6-5-3-1/h8-10H,5-7H2,1-4H3;1-6H2
InChIKeyWIJAUSUPJZOAKK-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyldecan-2-amine
CID 64721855
N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
CID 79045179
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine
CID 103546603
2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine
CID 170105864
N,4-dimethyl-7-methylsulfonylheptan-2-amine
CID 64721410

Frequently Asked Questions

What is the IUPAC name of cyclohexane;N,4-dimethylheptan-2-amine?
The IUPAC name of cyclohexane;N,4-dimethylheptan-2-amine (CID 144521968) is cyclohexane;N,4-dimethylheptan-2-amine.
What is the SMILES notation for cyclohexane;N,4-dimethylheptan-2-amine?
The canonical SMILES for cyclohexane;N,4-dimethylheptan-2-amine is C1CCCCC1.CCCC(C)CC(C)NC.
What is the InChIKey of cyclohexane;N,4-dimethylheptan-2-amine?
The InChIKey is WIJAUSUPJZOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C6H12/c1-5-6-8(2)7-9(3)10-4;1-2-4-6-5-3-1/h8-10H,5-7H2,1-4H3;1-6H2.
What are the key properties of cyclohexane;N,4-dimethylheptan-2-amine?
cyclohexane;N,4-dimethylheptan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N,4-dimethylheptan-2-amine is sourced from PubChem (CID 144521968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).