N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine

C19H38N2 — CID 60851349

IUPACN-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
SMILESCC(C)(C)NCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H38N2/c1-19(2,3)20-15-10-16-21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h17-18,20H,4-16H2,1-3H3
InChIKeyNIVHJCHEGLRLRB-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.73
Rot. Bonds6

About N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine

N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine (PubChem CID 60851349) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
PubChem CID60851349
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
SMILESCC(C)(C)NCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H38N2/c1-19(2,3)20-15-10-16-21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h17-18,20H,4-16H2,1-3H3
InChIKeyNIVHJCHEGLRLRB-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
N-cyclobutyl-N-(3-cyclopentylpropyl)cyclopentanamine
CID 175422584
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N'-cyclobutyl-N'-cyclopentylpropane-1,3-diamine
CID 102874978
N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
CID 63446738

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine (CID 60851349) is N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine is CC(C)(C)NCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine?
The InChIKey is NIVHJCHEGLRLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-19(2,3)20-15-10-16-21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h17-18,20H,4-16H2,1-3H3.
What are the key properties of N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine?
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.73, 6 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'-dicyclohexylpropane-1,3-diamine is sourced from PubChem (CID 60851349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).