2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine

C19H34N2 — CID 43130163

IUPAC2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(CC)Cc1ccccc1
InChIInChI=1S/C19H34N2/c1-4-6-7-8-12-15-19(3,17-20)21(5-2)16-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17,20H2,1-3H3
InChIKeyVHTIVMFAKZFPKA-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.59
Rot. Bonds11

About 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine

2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine (PubChem CID 43130163) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
PubChem CID43130163
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(CC)Cc1ccccc1
InChIInChI=1S/C19H34N2/c1-4-6-7-8-12-15-19(3,17-20)21(5-2)16-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17,20H2,1-3H3
InChIKeyVHTIVMFAKZFPKA-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.59
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,N-dibenzyl-3-methylheptan-3-amine
CID 164668379
2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
CID 62009172
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
2-N-[(2-bromophenyl)methyl]-2-N,2-dimethylheptane-1,2-diamine
CID 80558338
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
hexakis(decane);ethylbenzene
CID 173398562
2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867392

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine (CID 43130163) is 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine is CCCCCCCC(C)(CN)N(CC)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine?
The InChIKey is VHTIVMFAKZFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-6-7-8-12-15-19(3,17-20)21(5-2)16-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17,20H2,1-3H3.
What are the key properties of 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine?
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine is sourced from PubChem (CID 43130163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).