ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine

C14H32N2 — CID 142347793

IUPACethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine
SMILESCC.CCC1CCC(NC(C)C)CCN1C
InChIInChI=1S/C12H26N2.C2H6/c1-5-12-7-6-11(13-10(2)3)8-9-14(12)4;1-2/h10-13H,5-9H2,1-4H3;1-2H3
InChIKeyURDLFYYGZOSEOT-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.27
Rot. Bonds3

About ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine

ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine (PubChem CID 142347793) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Nameethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine
PubChem CID142347793
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine
SMILESCC.CCC1CCC(NC(C)C)CCN1C
InChIInChI=1S/C12H26N2.C2H6/c1-5-12-7-6-11(13-10(2)3)8-9-14(12)4;1-2/h10-13H,5-9H2,1-4H3;1-2H3
InChIKeyURDLFYYGZOSEOT-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine?
The IUPAC name of ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine (CID 142347793) is ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine.
What is the SMILES notation for ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine?
The canonical SMILES for ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine is CC.CCC1CCC(NC(C)C)CCN1C.
What is the InChIKey of ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine?
The InChIKey is URDLFYYGZOSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6/c1-5-12-7-6-11(13-10(2)3)8-9-14(12)4;1-2/h10-13H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine?
ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine has a molecular weight of 228.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-1-methyl-N-propan-2-ylazepan-4-amine is sourced from PubChem (CID 142347793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).