N-heptan-2-yldodecan-1-amine

C19H41N — CID 63491878

IUPACN-heptan-2-yldodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)CCCCC
InChIInChI=1S/C19H41N/c1-4-6-8-9-10-11-12-13-14-16-18-20-19(3)17-15-7-5-2/h19-20H,4-18H2,1-3H3
InChIKeyQHOBJZNKJNSFBU-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.47
Rot. Bonds16

About N-heptan-2-yldodecan-1-amine

N-heptan-2-yldodecan-1-amine (PubChem CID 63491878) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-heptan-2-yldodecan-1-amine.

Molecular Properties

Compound NameN-heptan-2-yldodecan-1-amine
PubChem CID63491878
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-heptan-2-yldodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)CCCCC
InChIInChI=1S/C19H41N/c1-4-6-8-9-10-11-12-13-14-16-18-20-19(3)17-15-7-5-2/h19-20H,4-18H2,1-3H3
InChIKeyQHOBJZNKJNSFBU-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-propylnonan-2-amine
CID 43129664
N-pentan-2-ylheptan-1-amine
CID 43129169
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
trimethyl-[5-(tridecylamino)hexyl]azanium
CID 141374571
3-(octylamino)butan-1-ol
CID 83177243
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yldodecan-1-amine?
The IUPAC name of N-heptan-2-yldodecan-1-amine (CID 63491878) is N-heptan-2-yldodecan-1-amine.
What is the SMILES notation for N-heptan-2-yldodecan-1-amine?
The canonical SMILES for N-heptan-2-yldodecan-1-amine is CCCCCCCCCCCCNC(C)CCCCC.
What is the InChIKey of N-heptan-2-yldodecan-1-amine?
The InChIKey is QHOBJZNKJNSFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-4-6-8-9-10-11-12-13-14-16-18-20-19(3)17-15-7-5-2/h19-20H,4-18H2,1-3H3.
What are the key properties of N-heptan-2-yldodecan-1-amine?
N-heptan-2-yldodecan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.47, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yldodecan-1-amine is sourced from PubChem (CID 63491878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).