N-propan-2-ylcycloheptanamine

C10H21N — CID 42562651

IUPACN-propan-2-ylcycloheptanamine
SMILESCC(C)NC1CCCCCC1
InChIInChI=1S/C10H21N/c1-9(2)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3
InChIKeyBAMIITPCPOUFPY-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.71
Rot. Bonds2

About N-propan-2-ylcycloheptanamine

N-propan-2-ylcycloheptanamine (PubChem CID 42562651) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-propan-2-ylcycloheptanamine.

Molecular Properties

Compound NameN-propan-2-ylcycloheptanamine
PubChem CID42562651
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-propan-2-ylcycloheptanamine
SMILESCC(C)NC1CCCCCC1
InChIInChI=1S/C10H21N/c1-9(2)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3
InChIKeyBAMIITPCPOUFPY-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
1-cyclopentyl-2-methylpropan-1-ol;ethane;N-propan-2-ylcyclopentanamine
CID 145336371
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
1-(cyclopentylamino)ethanol
CID 18784157
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
(2S)-2-(cyclohexylamino)propanal
CID 18666973
N-(1-propan-2-yloxyethyl)cyclohexanamine
CID 163678991
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
2-(cyclododecylamino)propan-1-ol
CID 43499740

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylcycloheptanamine?
The IUPAC name of N-propan-2-ylcycloheptanamine (CID 42562651) is N-propan-2-ylcycloheptanamine.
What is the SMILES notation for N-propan-2-ylcycloheptanamine?
The canonical SMILES for N-propan-2-ylcycloheptanamine is CC(C)NC1CCCCCC1.
What is the InChIKey of N-propan-2-ylcycloheptanamine?
The InChIKey is BAMIITPCPOUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-propan-2-ylcycloheptanamine?
N-propan-2-ylcycloheptanamine has a molecular weight of 155.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcycloheptanamine is sourced from PubChem (CID 42562651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).