N-ethylazepan-4-amine

C8H18N2 — CID 63903476

IUPACN-ethylazepan-4-amine
SMILESCCNC1CCCNCC1
InChIInChI=1S/C8H18N2/c1-2-10-8-4-3-6-9-7-5-8/h8-10H,2-7H2,1H3
InChIKeySKTMHKFZROBWBL-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds2

About N-ethylazepan-4-amine

N-ethylazepan-4-amine (PubChem CID 63903476) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-ethylazepan-4-amine.

Molecular Properties

Compound NameN-ethylazepan-4-amine
PubChem CID63903476
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-ethylazepan-4-amine
SMILESCCNC1CCCNCC1
InChIInChI=1S/C8H18N2/c1-2-10-8-4-3-6-9-7-5-8/h8-10H,2-7H2,1H3
InChIKeySKTMHKFZROBWBL-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylazepan-4-amine?
The IUPAC name of N-ethylazepan-4-amine (CID 63903476) is N-ethylazepan-4-amine.
What is the SMILES notation for N-ethylazepan-4-amine?
The canonical SMILES for N-ethylazepan-4-amine is CCNC1CCCNCC1.
What is the InChIKey of N-ethylazepan-4-amine?
The InChIKey is SKTMHKFZROBWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-10-8-4-3-6-9-7-5-8/h8-10H,2-7H2,1H3.
What are the key properties of N-ethylazepan-4-amine?
N-ethylazepan-4-amine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylazepan-4-amine is sourced from PubChem (CID 63903476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).