4-propan-2-ylazepane

C9H19N — CID 19964977

IUPAC4-propan-2-ylazepane
SMILESCC(C)C1CCCNCC1
InChIInChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKeyPERQRFSWSFUTEO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds1

About 4-propan-2-ylazepane

4-propan-2-ylazepane (PubChem CID 19964977) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4-propan-2-ylazepane.

Molecular Properties

Compound Name4-propan-2-ylazepane
PubChem CID19964977
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4-propan-2-ylazepane
SMILESCC(C)C1CCCNCC1
InChIInChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKeyPERQRFSWSFUTEO-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylazepane?
The IUPAC name of 4-propan-2-ylazepane (CID 19964977) is 4-propan-2-ylazepane.
What is the SMILES notation for 4-propan-2-ylazepane?
The canonical SMILES for 4-propan-2-ylazepane is CC(C)C1CCCNCC1.
What is the InChIKey of 4-propan-2-ylazepane?
The InChIKey is PERQRFSWSFUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-ylazepane?
4-propan-2-ylazepane has a molecular weight of 141.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylazepane is sourced from PubChem (CID 19964977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).