1,4-diethylazepane

C10H21N — CID 67522864

IUPAC1,4-diethylazepane
SMILESCCC1CCCN(CC)CC1
InChIInChI=1S/C10H21N/c1-3-10-6-5-8-11(4-2)9-7-10/h10H,3-9H2,1-2H3
InChIKeyDLBCFWJPMGYGRS-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds2

About 1,4-diethylazepane

1,4-diethylazepane (PubChem CID 67522864) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,4-diethylazepane.

Molecular Properties

Compound Name1,4-diethylazepane
PubChem CID67522864
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,4-diethylazepane
SMILESCCC1CCCN(CC)CC1
InChIInChI=1S/C10H21N/c1-3-10-6-5-8-11(4-2)9-7-10/h10H,3-9H2,1-2H3
InChIKeyDLBCFWJPMGYGRS-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethylpiperidine;ethane
CID 143709904
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417
1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane
CID 143029154
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
4-(4-ethylazepan-1-yl)but-2-en-1-amine
CID 77110365
1,3-diethylpyrrolidine;ethane
CID 145103245
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
1-(9-bromononyl)-4-ethylazepane
CID 105343800
1-[2-(4-ethylazepan-1-yl)ethyl]cyclopentan-1-amine
CID 64681225
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylazepane?
The IUPAC name of 1,4-diethylazepane (CID 67522864) is 1,4-diethylazepane.
What is the SMILES notation for 1,4-diethylazepane?
The canonical SMILES for 1,4-diethylazepane is CCC1CCCN(CC)CC1.
What is the InChIKey of 1,4-diethylazepane?
The InChIKey is DLBCFWJPMGYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-10-6-5-8-11(4-2)9-7-10/h10H,3-9H2,1-2H3.
What are the key properties of 1,4-diethylazepane?
1,4-diethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylazepane is sourced from PubChem (CID 67522864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).