1-N"-undecylpropane-1,1,1-triamine

C14H33N3 — CID 54090869

IUPAC1-N"-undecylpropane-1,1,1-triamine
SMILESCCCCCCCCCCCNC(N)(N)CC
InChIInChI=1S/C14H33N3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15,16)4-2/h17H,3-13,15-16H2,1-2H3
InChIKeyMTTIQROHHUZXKK-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.09
Rot. Bonds12

About 1-N"-undecylpropane-1,1,1-triamine

1-N"-undecylpropane-1,1,1-triamine (PubChem CID 54090869) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 1-N"-undecylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N"-undecylpropane-1,1,1-triamine
PubChem CID54090869
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name1-N"-undecylpropane-1,1,1-triamine
SMILESCCCCCCCCCCCNC(N)(N)CC
InChIInChI=1S/C14H33N3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15,16)4-2/h17H,3-13,15-16H2,1-2H3
InChIKeyMTTIQROHHUZXKK-UHFFFAOYSA-N
XLogP3.09
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.09
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

4-N-decyl-3,4-diethylhexane-3,4-diamine
CID 150923336
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-tert-butylnonadecan-1-amine
CID 87846739
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(tribromomethyl)hexadecan-1-amine
CID 175543553
(hexadecylamino)-(hexylamino)methanedithiol
CID 176812583
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
1,1-bis(octylamino)ethanol
CID 87347011
N-[1-chloro-2-(chloromethyl)butan-2-yl]heptan-1-amine
CID 107867089
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964

Frequently Asked Questions

What is the IUPAC name of 1-N"-undecylpropane-1,1,1-triamine?
The IUPAC name of 1-N"-undecylpropane-1,1,1-triamine (CID 54090869) is 1-N"-undecylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N"-undecylpropane-1,1,1-triamine?
The canonical SMILES for 1-N"-undecylpropane-1,1,1-triamine is CCCCCCCCCCCNC(N)(N)CC.
What is the InChIKey of 1-N"-undecylpropane-1,1,1-triamine?
The InChIKey is MTTIQROHHUZXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15,16)4-2/h17H,3-13,15-16H2,1-2H3.
What are the key properties of 1-N"-undecylpropane-1,1,1-triamine?
1-N"-undecylpropane-1,1,1-triamine has a molecular weight of 243.44 g/mol, XLogP of 3.09, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-undecylpropane-1,1,1-triamine is sourced from PubChem (CID 54090869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).