2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine

C17H30N2 — CID 79054320

IUPAC2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CCc1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C17H30N2/c1-6-14-18-16(17(2,3)19(4)5)13-12-15-10-8-7-9-11-15/h7-11,16,18H,6,12-14H2,1-5H3
InChIKeyOSXPIUYEARIDPZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.33
Rot. Bonds8

About 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine

2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine (PubChem CID 79054320) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
PubChem CID79054320
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CCc1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C17H30N2/c1-6-14-18-16(17(2,3)19(4)5)13-12-15-10-8-7-9-11-15/h7-11,16,18H,6,12-14H2,1-5H3
InChIKeyOSXPIUYEARIDPZ-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
CID 79057538
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
propylbenzene;N,N,2-trimethylpropan-2-amine
CID 91496276
2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
CID 79298844
1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053636
5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
CID 82922907
6-phenyl-N-propylhexan-2-amine
CID 61485022
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine (CID 79054320) is 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine is CCCNC(CCc1ccccc1)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine?
The InChIKey is OSXPIUYEARIDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14-18-16(17(2,3)19(4)5)13-12-15-10-8-7-9-11-15/h7-11,16,18H,6,12-14H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine?
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.33, 8 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-5-phenyl-3-N-propylpentane-2,3-diamine is sourced from PubChem (CID 79054320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).