2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine

C18H32N2 — CID 43767793

IUPAC2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
SMILESCCCCCC(NCC(C)(C)N(C)C)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-7-9-14-17(16-12-10-8-11-13-16)19-15-18(2,3)20(4)5/h8,10-13,17,19H,6-7,9,14-15H2,1-5H3
InChIKeyKFLRDRPQIUXTFH-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.24
Rot. Bonds9

About 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine (PubChem CID 43767793) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
PubChem CID43767793
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
SMILESCCCCCC(NCC(C)(C)N(C)C)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-7-9-14-17(16-12-10-8-11-13-16)19-15-18(2,3)20(4)5/h8,10-13,17,19H,6-7,9,14-15H2,1-5H3
InChIKeyKFLRDRPQIUXTFH-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.24
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-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
CID 43758913
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
2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
CID 43100072
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
N-pentyl-1-phenyldecan-1-amine
CID 10380274
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine (CID 43767793) is 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine is CCCCCC(NCC(C)(C)N(C)C)c1ccccc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine?
The InChIKey is KFLRDRPQIUXTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-9-14-17(16-12-10-8-11-13-16)19-15-18(2,3)20(4)5/h8,10-13,17,19H,6-7,9,14-15H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine is sourced from PubChem (CID 43767793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).