N-tetradecan-2-yltetradecan-2-amine

C28H59N — CID 20841578

IUPACN-tetradecan-2-yltetradecan-2-amine
SMILESCCCCCCCCCCCCC(C)NC(C)CCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-5-7-9-11-13-15-17-19-21-23-25-27(3)29-28(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-29H,5-26H2,1-4H3
InChIKeyPYZBKAYDCIDNGQ-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.98
Rot. Bonds24

About N-tetradecan-2-yltetradecan-2-amine

N-tetradecan-2-yltetradecan-2-amine (PubChem CID 20841578) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is N-tetradecan-2-yltetradecan-2-amine.

Molecular Properties

Compound NameN-tetradecan-2-yltetradecan-2-amine
PubChem CID20841578
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC NameN-tetradecan-2-yltetradecan-2-amine
SMILESCCCCCCCCCCCCC(C)NC(C)CCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-5-7-9-11-13-15-17-19-21-23-25-27(3)29-28(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-29H,5-26H2,1-4H3
InChIKeyPYZBKAYDCIDNGQ-UHFFFAOYSA-N
XLogP9.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-(pentadecan-2-ylamino)ethanol
CID 90985657
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
N-heptan-4-ylheptan-2-amine
CID 43572732
N-(1-methylsulfinylpropan-2-yl)octan-2-amine
CID 104537610
N-methyltetradecan-2-amine
CID 54073704
N-hexadecan-2-ylhydroxylamine
CID 54390562
N-fluorooctan-2-amine
CID 88597566
N-bromodecan-2-amine
CID 150287649

Frequently Asked Questions

What is the IUPAC name of N-tetradecan-2-yltetradecan-2-amine?
The IUPAC name of N-tetradecan-2-yltetradecan-2-amine (CID 20841578) is N-tetradecan-2-yltetradecan-2-amine.
What is the SMILES notation for N-tetradecan-2-yltetradecan-2-amine?
The canonical SMILES for N-tetradecan-2-yltetradecan-2-amine is CCCCCCCCCCCCC(C)NC(C)CCCCCCCCCCCC.
What is the InChIKey of N-tetradecan-2-yltetradecan-2-amine?
The InChIKey is PYZBKAYDCIDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-5-7-9-11-13-15-17-19-21-23-25-27(3)29-28(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-29H,5-26H2,1-4H3.
What are the key properties of N-tetradecan-2-yltetradecan-2-amine?
N-tetradecan-2-yltetradecan-2-amine has a molecular weight of 409.79 g/mol, XLogP of 9.98, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecan-2-yltetradecan-2-amine is sourced from PubChem (CID 20841578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).