4-(aminomethyl)-N-propan-2-yloxepan-4-amine

C10H22N2O — CID 65079221

IUPAC4-(aminomethyl)-N-propan-2-yloxepan-4-amine
SMILESCC(C)NC1(CN)CCCOCC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-10(8-11)4-3-6-13-7-5-10/h9,12H,3-8,11H2,1-2H3
InChIKeyRFZBWSQVZFRXHI-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds3

About 4-(aminomethyl)-N-propan-2-yloxepan-4-amine

4-(aminomethyl)-N-propan-2-yloxepan-4-amine (PubChem CID 65079221) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propan-2-yloxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-propan-2-yloxepan-4-amine
PubChem CID65079221
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(aminomethyl)-N-propan-2-yloxepan-4-amine
SMILESCC(C)NC1(CN)CCCOCC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-10(8-11)4-3-6-13-7-5-10/h9,12H,3-8,11H2,1-2H3
InChIKeyRFZBWSQVZFRXHI-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propan-2-yloxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-propan-2-yloxepan-4-amine (CID 65079221) is 4-(aminomethyl)-N-propan-2-yloxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-propan-2-yloxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-propan-2-yloxepan-4-amine is CC(C)NC1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-propan-2-yloxepan-4-amine?
The InChIKey is RFZBWSQVZFRXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12-10(8-11)4-3-6-13-7-5-10/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-propan-2-yloxepan-4-amine?
4-(aminomethyl)-N-propan-2-yloxepan-4-amine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propan-2-yloxepan-4-amine is sourced from PubChem (CID 65079221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).