3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine

C21H42N2 — CID 134220327

IUPAC3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine
SMILESCC(C)C1CCCC(N)(C2(C)CCCCCCCCC2)CNC1
InChIInChI=1S/C21H42N2/c1-18(2)19-12-11-15-21(22,17-23-16-19)20(3)13-9-7-5-4-6-8-10-14-20/h18-19,23H,4-17,22H2,1-3H3
InChIKeyOGKBUEQYYQGEJR-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.26
Rot. Bonds2

About 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine

3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine (PubChem CID 134220327) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine.

Molecular Properties

Compound Name3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine
PubChem CID134220327
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine
SMILESCC(C)C1CCCC(N)(C2(C)CCCCCCCCC2)CNC1
InChIInChI=1S/C21H42N2/c1-18(2)19-12-11-15-21(22,17-23-16-19)20(3)13-9-7-5-4-6-8-10-14-20/h18-19,23H,4-17,22H2,1-3H3
InChIKeyOGKBUEQYYQGEJR-UHFFFAOYSA-N
XLogP5.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine?
The IUPAC name of 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine (CID 134220327) is 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine.
What is the SMILES notation for 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine?
The canonical SMILES for 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine is CC(C)C1CCCC(N)(C2(C)CCCCCCCCC2)CNC1.
What is the InChIKey of 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine?
The InChIKey is OGKBUEQYYQGEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-18(2)19-12-11-15-21(22,17-23-16-19)20(3)13-9-7-5-4-6-8-10-14-20/h18-19,23H,4-17,22H2,1-3H3.
What are the key properties of 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine?
3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine has a molecular weight of 322.58 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine is sourced from PubChem (CID 134220327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).