(2R)-2-propan-2-ylazepane

C9H19N — CID 7048221

IUPAC(2R)-2-propan-2-ylazepane
SMILESCC(C)[C@H]1CCCCCN1
InChIInChI=1S/C9H19N/c1-8(2)9-6-4-3-5-7-10-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyVZKZJBJGKDYTLW-SECBINFHSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds1

About (2R)-2-propan-2-ylazepane

(2R)-2-propan-2-ylazepane (PubChem CID 7048221) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2R)-2-propan-2-ylazepane.

Molecular Properties

Compound Name(2R)-2-propan-2-ylazepane
PubChem CID7048221
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2R)-2-propan-2-ylazepane
SMILESCC(C)[C@H]1CCCCCN1
InChIInChI=1S/C9H19N/c1-8(2)9-6-4-3-5-7-10-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyVZKZJBJGKDYTLW-SECBINFHSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-propan-2-ylpiperidine
CID 7022854
ethane;2-propan-2-ylpiperidine
CID 154671868
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
(2R)-2-butan-2-ylpiperidine
CID 145087457
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 158490394
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
CID 159611359
2-(azocan-2-yl)-1-cyclopropylpropan-1-one
CID 130491233
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
(2S)-2-pentan-3-ylpiperidine
CID 7048107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-ylazepane?
The IUPAC name of (2R)-2-propan-2-ylazepane (CID 7048221) is (2R)-2-propan-2-ylazepane.
What is the SMILES notation for (2R)-2-propan-2-ylazepane?
The canonical SMILES for (2R)-2-propan-2-ylazepane is CC(C)[C@H]1CCCCCN1.
What is the InChIKey of (2R)-2-propan-2-ylazepane?
The InChIKey is VZKZJBJGKDYTLW-SECBINFHSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)9-6-4-3-5-7-10-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-propan-2-ylazepane?
(2R)-2-propan-2-ylazepane has a molecular weight of 141.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-ylazepane is sourced from PubChem (CID 7048221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).