N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C18H39N3 — CID 134220096

IUPACN'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCC(N)C1(C)CCCCCCCC1
InChIInChI=1S/C18H39N3/c1-15(2)16(12-19)13-21-14-17(20)18(3)10-8-6-4-5-7-9-11-18/h15-17,21H,4-14,19-20H2,1-3H3
InChIKeyZOWOXDUJRUHXEU-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.27
Rot. Bonds7

About N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 134220096) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID134220096
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCC(N)C1(C)CCCCCCCC1
InChIInChI=1S/C18H39N3/c1-15(2)16(12-19)13-21-14-17(20)18(3)10-8-6-4-5-7-9-11-18/h15-17,21H,4-14,19-20H2,1-3H3
InChIKeyZOWOXDUJRUHXEU-UHFFFAOYSA-N
XLogP3.27
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 134220096) is N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCC(N)C1(C)CCCCCCCC1.
What is the InChIKey of N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZOWOXDUJRUHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-15(2)16(12-19)13-21-14-17(20)18(3)10-8-6-4-5-7-9-11-18/h15-17,21H,4-14,19-20H2,1-3H3.
What are the key properties of N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 134220096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).