1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine

C14H30N2 — CID 79081680

IUPAC1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)C(C)(C)C)CCCCCC1
InChIInChI=1S/C14H30N2/c1-13(2,3)12(15)14(16(4)5)10-8-6-7-9-11-14/h12H,6-11,15H2,1-5H3
InChIKeyYKCDXGMSGACAES-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds2

About 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine

1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine (PubChem CID 79081680) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine
PubChem CID79081680
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)C(C)(C)C)CCCCCC1
InChIInChI=1S/C14H30N2/c1-13(2,3)12(15)14(16(4)5)10-8-6-7-9-11-14/h12H,6-11,15H2,1-5H3
InChIKeyYKCDXGMSGACAES-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminoethyl)-N,N-dimethylcycloheptan-1-amine
CID 79081577
1-(1-aminoprop-2-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79081473
1-(1-amino-3-methylbut-2-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79178641
1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79825971
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-(1-aminopentyl)-N,N-dimethylcyclohexan-1-amine
CID 79066659
1-(1-amino-5-methylhexyl)-N,N-dimethylcyclohexan-1-amine
CID 83160951
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine
CID 79080652
1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79185474
1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066285
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine (CID 79081680) is 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)C(C)(C)C)CCCCCC1.
What is the InChIKey of 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine?
The InChIKey is YKCDXGMSGACAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2,3)12(15)14(16(4)5)10-8-6-7-9-11-14/h12H,6-11,15H2,1-5H3.
What are the key properties of 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine?
1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79081680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).