N-tert-butyl-N',N'-dibutylbutane-1,4-diamine

C16H36N2 — CID 62418469

IUPACN-tert-butyl-N',N'-dibutylbutane-1,4-diamine
SMILESCCCCN(CCCC)CCCCNC(C)(C)C
InChIInChI=1S/C16H36N2/c1-6-8-13-18(14-9-7-2)15-11-10-12-17-16(3,4)5/h17H,6-15H2,1-5H3
InChIKeyVGIBGQQDYAWDDI-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.06
Rot. Bonds11

About N-tert-butyl-N',N'-dibutylbutane-1,4-diamine

N-tert-butyl-N',N'-dibutylbutane-1,4-diamine (PubChem CID 62418469) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-tert-butyl-N',N'-dibutylbutane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-dibutylbutane-1,4-diamine
PubChem CID62418469
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-tert-butyl-N',N'-dibutylbutane-1,4-diamine
SMILESCCCCN(CCCC)CCCCNC(C)(C)C
InChIInChI=1S/C16H36N2/c1-6-8-13-18(14-9-7-2)15-11-10-12-17-16(3,4)5/h17H,6-15H2,1-5H3
InChIKeyVGIBGQQDYAWDDI-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N',N'-dibutylbutane-1,4-diamine 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-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-butyl-N-[4-(tert-butylamino)butyl]butanamide
CID 89364805
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N-tert-butyl-N'-methyl-N'-nonylethane-1,2-diamine
CID 63526984
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
CID 62594005
N-butyl-N-undecyldodecan-1-amine
CID 168880724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-dibutylbutane-1,4-diamine?
The IUPAC name of N-tert-butyl-N',N'-dibutylbutane-1,4-diamine (CID 62418469) is N-tert-butyl-N',N'-dibutylbutane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N',N'-dibutylbutane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N',N'-dibutylbutane-1,4-diamine is CCCCN(CCCC)CCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-dibutylbutane-1,4-diamine?
The InChIKey is VGIBGQQDYAWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-6-8-13-18(14-9-7-2)15-11-10-12-17-16(3,4)5/h17H,6-15H2,1-5H3.
What are the key properties of N-tert-butyl-N',N'-dibutylbutane-1,4-diamine?
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-dibutylbutane-1,4-diamine is sourced from PubChem (CID 62418469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).