4-cycloheptyloxepan-4-amine

C13H25NO — CID 82931181

IUPAC4-cycloheptyloxepan-4-amine
SMILESNC1(C2CCCCCC2)CCCOCC1
InChIInChI=1S/C13H25NO/c14-13(8-5-10-15-11-9-13)12-6-3-1-2-4-7-12/h12H,1-11,14H2
InChIKeyKSBZJMRWPFCHFL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds1

About 4-cycloheptyloxepan-4-amine

4-cycloheptyloxepan-4-amine (PubChem CID 82931181) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-cycloheptyloxepan-4-amine.

Molecular Properties

Compound Name4-cycloheptyloxepan-4-amine
PubChem CID82931181
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-cycloheptyloxepan-4-amine
SMILESNC1(C2CCCCCC2)CCCOCC1
InChIInChI=1S/C13H25NO/c14-13(8-5-10-15-11-9-13)12-6-3-1-2-4-7-12/h12H,1-11,14H2
InChIKeyKSBZJMRWPFCHFL-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclooctylcyclooctan-1-amine
CID 19973273
1-cyclohexylcyclohexan-1-amine;nitrous acid
CID 157147588
bicyclo[3.2.0]heptan-1-amine
CID 148858770
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
4-cyclohexyl-4-methyloxane
CID 58667675
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
4-cyclopentylthian-4-amine
CID 83684340
(1S,6S)-bicyclo[4.1.0]heptan-1-amine
CID 55289374
(1S,6R)-bicyclo[4.1.0]heptan-1-amine
CID 124660494
1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine
CID 107135848
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxepan-4-amine?
The IUPAC name of 4-cycloheptyloxepan-4-amine (CID 82931181) is 4-cycloheptyloxepan-4-amine.
What is the SMILES notation for 4-cycloheptyloxepan-4-amine?
The canonical SMILES for 4-cycloheptyloxepan-4-amine is NC1(C2CCCCCC2)CCCOCC1.
What is the InChIKey of 4-cycloheptyloxepan-4-amine?
The InChIKey is KSBZJMRWPFCHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-13(8-5-10-15-11-9-13)12-6-3-1-2-4-7-12/h12H,1-11,14H2.
What are the key properties of 4-cycloheptyloxepan-4-amine?
4-cycloheptyloxepan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxepan-4-amine is sourced from PubChem (CID 82931181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).