N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine

C19H41N — CID 163587964

IUPACN-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
SMILESCCCCCCCCCCCCN[C@](C)(CC)CCC
InChIInChI=1S/C19H41N/c1-5-8-9-10-11-12-13-14-15-16-18-20-19(4,7-3)17-6-2/h20H,5-18H2,1-4H3/t19-/m1/s1
InChIKeyGNCDACXXTMNOIF-LJQANCHMSA-N
MW283.54 g/mol
LogP6.47
Rot. Bonds15

About N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine

N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine (PubChem CID 163587964) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine.

Molecular Properties

Compound NameN-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
PubChem CID163587964
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
SMILESCCCCCCCCCCCCN[C@](C)(CC)CCC
InChIInChI=1S/C19H41N/c1-5-8-9-10-11-12-13-14-15-16-18-20-19(4,7-3)17-6-2/h20H,5-18H2,1-4H3/t19-/m1/s1
InChIKeyGNCDACXXTMNOIF-LJQANCHMSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.47
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-heptyl-5-methylnonan-5-amine
CID 126560493
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-tert-butylnonadecan-1-amine
CID 87846739
2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
CID 144530466
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
1,1-bis(octylamino)ethanol
CID 87347011
1-N"-undecylpropane-1,1,1-triamine
CID 54090869
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine?
The IUPAC name of N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine (CID 163587964) is N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine.
What is the SMILES notation for N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine?
The canonical SMILES for N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine is CCCCCCCCCCCCN[C@](C)(CC)CCC.
What is the InChIKey of N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine?
The InChIKey is GNCDACXXTMNOIF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H41N/c1-5-8-9-10-11-12-13-14-15-16-18-20-19(4,7-3)17-6-2/h20H,5-18H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine?
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.47, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine is sourced from PubChem (CID 163587964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).