N-butan-2-ylundecan-1-amine

C15H33N — CID 151961423

IUPACN-butan-2-ylundecan-1-amine
SMILESCCCCCCCCCCCNC(C)CC
InChIInChI=1S/C15H33N/c1-4-6-7-8-9-10-11-12-13-14-16-15(3)5-2/h15-16H,4-14H2,1-3H3
InChIKeyTYSXWAHSLGZRDO-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.91
Rot. Bonds12

About N-butan-2-ylundecan-1-amine

N-butan-2-ylundecan-1-amine (PubChem CID 151961423) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-butan-2-ylundecan-1-amine.

Molecular Properties

Compound NameN-butan-2-ylundecan-1-amine
PubChem CID151961423
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-butan-2-ylundecan-1-amine
SMILESCCCCCCCCCCCNC(C)CC
InChIInChI=1S/C15H33N/c1-4-6-7-8-9-10-11-12-13-14-16-15(3)5-2/h15-16H,4-14H2,1-3H3
InChIKeyTYSXWAHSLGZRDO-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.91
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

N-butan-2-yldodecan-1-amine
CID 63489622
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-pentan-2-ylheptan-1-amine
CID 43129169
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
N-propan-2-ylicosan-1-amine
CID 87246132
2-(tetradecylamino)propane-1,1-diol
CID 174762987

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylundecan-1-amine?
The IUPAC name of N-butan-2-ylundecan-1-amine (CID 151961423) is N-butan-2-ylundecan-1-amine.
What is the SMILES notation for N-butan-2-ylundecan-1-amine?
The canonical SMILES for N-butan-2-ylundecan-1-amine is CCCCCCCCCCCNC(C)CC.
What is the InChIKey of N-butan-2-ylundecan-1-amine?
The InChIKey is TYSXWAHSLGZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-4-6-7-8-9-10-11-12-13-14-16-15(3)5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of N-butan-2-ylundecan-1-amine?
N-butan-2-ylundecan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylundecan-1-amine is sourced from PubChem (CID 151961423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).