N"-octylmethanetriamine

C9H23N3 — CID 139788026

IUPACN"-octylmethanetriamine
SMILESCCCCCCCCNC(N)N
InChIInChI=1S/C9H23N3/c1-2-3-4-5-6-7-8-12-9(10)11/h9,12H,2-8,10-11H2,1H3
InChIKeyWKRZISGSNKKDTD-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.14
Rot. Bonds8

About N"-octylmethanetriamine

N"-octylmethanetriamine (PubChem CID 139788026) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N"-octylmethanetriamine.

Molecular Properties

Compound NameN"-octylmethanetriamine
PubChem CID139788026
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN"-octylmethanetriamine
SMILESCCCCCCCCNC(N)N
InChIInChI=1S/C9H23N3/c1-2-3-4-5-6-7-8-12-9(10)11/h9,12H,2-8,10-11H2,1H3
InChIKeyWKRZISGSNKKDTD-UHFFFAOYSA-N
XLogP1.14
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-nonylethane-1,1-diamine
CID 141374358
1-N'-decylpropane-1,1-diamine
CID 19822794
1-N'-pentylethane-1,1-diamine
CID 87708859
1-N'-decylethane-1,1,2-triamine
CID 57125344
(1S)-1-(hexylamino)ethanethiol
CID 142113099
N-propan-2-ylicosan-1-amine
CID 87246132
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
(hexadecylamino)methanediol
CID 139772673
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl 2-(heptylamino)propanoate
CID 61498650
N-(1-hydrazinylethyl)dodecan-1-amine
CID 175203643
N-(dichloromethyl)pentan-1-amine
CID 88509515

Frequently Asked Questions

What is the IUPAC name of N"-octylmethanetriamine?
The IUPAC name of N"-octylmethanetriamine (CID 139788026) is N"-octylmethanetriamine.
What is the SMILES notation for N"-octylmethanetriamine?
The canonical SMILES for N"-octylmethanetriamine is CCCCCCCCNC(N)N.
What is the InChIKey of N"-octylmethanetriamine?
The InChIKey is WKRZISGSNKKDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-2-3-4-5-6-7-8-12-9(10)11/h9,12H,2-8,10-11H2,1H3.
What are the key properties of N"-octylmethanetriamine?
N"-octylmethanetriamine has a molecular weight of 173.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-octylmethanetriamine is sourced from PubChem (CID 139788026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).