N,4,4-trimethylcycloheptan-1-amine

C10H21N — CID 65082691

IUPACN,4,4-trimethylcycloheptan-1-amine
SMILESCNC1CCCC(C)(C)CC1
InChIInChI=1S/C10H21N/c1-10(2)7-4-5-9(11-3)6-8-10/h9,11H,4-8H2,1-3H3
InChIKeyDQCTWMMUBJRDOC-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds1

About N,4,4-trimethylcycloheptan-1-amine

N,4,4-trimethylcycloheptan-1-amine (PubChem CID 65082691) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,4,4-trimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethylcycloheptan-1-amine
PubChem CID65082691
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,4,4-trimethylcycloheptan-1-amine
SMILESCNC1CCCC(C)(C)CC1
InChIInChI=1S/C10H21N/c1-10(2)7-4-5-9(11-3)6-8-10/h9,11H,4-8H2,1-3H3
InChIKeyDQCTWMMUBJRDOC-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethylcycloheptan-1-amine?
The IUPAC name of N,4,4-trimethylcycloheptan-1-amine (CID 65082691) is N,4,4-trimethylcycloheptan-1-amine.
What is the SMILES notation for N,4,4-trimethylcycloheptan-1-amine?
The canonical SMILES for N,4,4-trimethylcycloheptan-1-amine is CNC1CCCC(C)(C)CC1.
What is the InChIKey of N,4,4-trimethylcycloheptan-1-amine?
The InChIKey is DQCTWMMUBJRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2)7-4-5-9(11-3)6-8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of N,4,4-trimethylcycloheptan-1-amine?
N,4,4-trimethylcycloheptan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethylcycloheptan-1-amine is sourced from PubChem (CID 65082691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).