1,4-dimethylcycloheptan-1-amine

C9H19N — CID 65080006

IUPAC1,4-dimethylcycloheptan-1-amine
SMILESCC1CCCC(C)(N)CC1
InChIInChI=1S/C9H19N/c1-8-4-3-6-9(2,10)7-5-8/h8H,3-7,10H2,1-2H3
InChIKeyMGYFTIIJIPFULT-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.30
Rot. Bonds

About 1,4-dimethylcycloheptan-1-amine

1,4-dimethylcycloheptan-1-amine (PubChem CID 65080006) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1,4-dimethylcycloheptan-1-amine
PubChem CID65080006
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,4-dimethylcycloheptan-1-amine
SMILESCC1CCCC(C)(N)CC1
InChIInChI=1S/C9H19N/c1-8-4-3-6-9(2,10)7-5-8/h8H,3-7,10H2,1-2H3
InChIKeyMGYFTIIJIPFULT-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734
1,6-dimethylcyclodecan-1-amine
CID 163518000
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1,1,5-trimethylcycloundecane
CID 161434950
1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
CID 82919408
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
1,1,4-trimethylcyclononane
CID 71397842
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
5-methylcyclooctane-1,1-diol
CID 22461370

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1,4-dimethylcycloheptan-1-amine (CID 65080006) is 1,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1,4-dimethylcycloheptan-1-amine is CC1CCCC(C)(N)CC1.
What is the InChIKey of 1,4-dimethylcycloheptan-1-amine?
The InChIKey is MGYFTIIJIPFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8-4-3-6-9(2,10)7-5-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 1,4-dimethylcycloheptan-1-amine?
1,4-dimethylcycloheptan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65080006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).