3-N,3-N-diethyl-2-phenylheptane-2,3-diamine

C17H30N2 — CID 43829678

IUPAC3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
SMILESCCCCC(N(CC)CC)C(C)(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-8-14-16(19(6-2)7-3)17(4,18)15-12-10-9-11-13-15/h9-13,16H,5-8,14,18H2,1-4H3
InChIKeyQPWSNZCAMXRFJE-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.76
Rot. Bonds8

About 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine

3-N,3-N-diethyl-2-phenylheptane-2,3-diamine (PubChem CID 43829678) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
PubChem CID43829678
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
SMILESCCCCC(N(CC)CC)C(C)(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-8-14-16(19(6-2)7-3)17(4,18)15-12-10-9-11-13-15/h9-13,16H,5-8,14,18H2,1-4H3
InChIKeyQPWSNZCAMXRFJE-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
CID 43829679
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
3-methyl-2-phenylhexan-2-amine
CID 107892285
2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830762
3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
CID 43829684
1,1,1-triphenylhexan-2-amine
CID 164823082
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
(2S)-2-phenylhexan-2-amine
CID 10889241
tert-butylbenzene;hexane
CID 175254424
1,1-diphenylpentan-1-amine
CID 10263654
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
tributyl(trityl)phosphanium fluoride
CID 18356165

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine (CID 43829678) is 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine is CCCCC(N(CC)CC)C(C)(N)c1ccccc1.
What is the InChIKey of 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine?
The InChIKey is QPWSNZCAMXRFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-8-14-16(19(6-2)7-3)17(4,18)15-12-10-9-11-13-15/h9-13,16H,5-8,14,18H2,1-4H3.
What are the key properties of 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine?
3-N,3-N-diethyl-2-phenylheptane-2,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-2-phenylheptane-2,3-diamine is sourced from PubChem (CID 43829678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).