N,2-ditert-butylundecan-1-amine

C19H41N — CID 83138846

IUPACN,2-ditert-butylundecan-1-amine
SMILESCCCCCCCCCC(CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H41N/c1-8-9-10-11-12-13-14-15-17(18(2,3)4)16-20-19(5,6)7/h17,20H,8-16H2,1-7H3
InChIKeyAKOKHGXMNBPAKO-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.18
Rot. Bonds10

About N,2-ditert-butylundecan-1-amine

N,2-ditert-butylundecan-1-amine (PubChem CID 83138846) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N,2-ditert-butylundecan-1-amine.

Molecular Properties

Compound NameN,2-ditert-butylundecan-1-amine
PubChem CID83138846
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN,2-ditert-butylundecan-1-amine
SMILESCCCCCCCCCC(CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H41N/c1-8-9-10-11-12-13-14-15-17(18(2,3)4)16-20-19(5,6)7/h17,20H,8-16H2,1-7H3
InChIKeyAKOKHGXMNBPAKO-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2-ditert-butylundecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-ditert-butyldodecan-1-amine
CID 83141382
9-tert-butylhenicosane
CID 150708915
6-tert-butylundecane
CID 90714582
1-(tert-butylamino)octan-2-ol
CID 62774713
N-tert-butyl-2-ethyldecan-1-amine
CID 55196031
N-(2-tert-butyloctyl)cyclopropanamine
CID 83138646
N-(2-tert-butylnonyl)cyclopropanamine
CID 83139036
9-tert-butyl-14-octyldocosane
CID 166495626
4-tert-butyldecane-1-thiol
CID 88900785
2-tert-butyl-N-propylhexan-1-amine
CID 83138918
N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
CID 103074508
azane;(9Z,29Z)-19-tert-butyloctatriaconta-9,29-diene
CID 175292627

Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butylundecan-1-amine?
The IUPAC name of N,2-ditert-butylundecan-1-amine (CID 83138846) is N,2-ditert-butylundecan-1-amine.
What is the SMILES notation for N,2-ditert-butylundecan-1-amine?
The canonical SMILES for N,2-ditert-butylundecan-1-amine is CCCCCCCCCC(CNC(C)(C)C)C(C)(C)C.
What is the InChIKey of N,2-ditert-butylundecan-1-amine?
The InChIKey is AKOKHGXMNBPAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-8-9-10-11-12-13-14-15-17(18(2,3)4)16-20-19(5,6)7/h17,20H,8-16H2,1-7H3.
What are the key properties of N,2-ditert-butylundecan-1-amine?
N,2-ditert-butylundecan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.18, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butylundecan-1-amine is sourced from PubChem (CID 83138846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).