4-tert-butyl-N-propan-2-ylcycloheptan-1-amine

C14H29N — CID 65090392

IUPAC4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC(C)NC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-11(2)15-13-8-6-7-12(9-10-13)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyJMOSFZZFHYTSPA-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds2

About 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine

4-tert-butyl-N-propan-2-ylcycloheptan-1-amine (PubChem CID 65090392) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
PubChem CID65090392
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC(C)NC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-11(2)15-13-8-6-7-12(9-10-13)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyJMOSFZZFHYTSPA-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine (CID 65090392) is 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine is CC(C)NC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is JMOSFZZFHYTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)15-13-8-6-7-12(9-10-13)14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine?
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65090392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).