N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine

C19H34N2 — CID 43758913

IUPACN,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
SMILESCCCCCC(NCC(C)(C)CN(C)C)c1ccccc1
InChIInChI=1S/C19H34N2/c1-6-7-9-14-18(17-12-10-8-11-13-17)20-15-19(2,3)16-21(4)5/h8,10-13,18,20H,6-7,9,14-16H2,1-5H3
InChIKeyIMEVIMHXOUYFCN-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.49
Rot. Bonds10

About N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine (PubChem CID 43758913) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
PubChem CID43758913
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
SMILESCCCCCC(NCC(C)(C)CN(C)C)c1ccccc1
InChIInChI=1S/C19H34N2/c1-6-7-9-14-18(17-12-10-8-11-13-17)20-15-19(2,3)16-21(4)5/h8,10-13,18,20H,6-7,9,14-16H2,1-5H3
InChIKeyIMEVIMHXOUYFCN-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.49
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

2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
2,2-dimethyl-3-(1-phenylhexylamino)propanamide
CID 103917134
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
[(1S)-1-phenyldecyl]hydrazine
CID 124596381

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine (CID 43758913) is N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine is CCCCCC(NCC(C)(C)CN(C)C)c1ccccc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine?
The InChIKey is IMEVIMHXOUYFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-7-9-14-18(17-12-10-8-11-13-17)20-15-19(2,3)16-21(4)5/h8,10-13,18,20H,6-7,9,14-16H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine is sourced from PubChem (CID 43758913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).