N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine

C17H30N2 — CID 79645598

IUPACN',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
SMILESCCCc1ccc(C(C)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H30N2/c1-6-7-15-8-10-16(11-9-15)14(2)19(5)13-17(3,4)12-18/h8-11,14H,6-7,12-13,18H2,1-5H3
InChIKeyKREWWTVKXYZZPD-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.62
Rot. Bonds7

About N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine (PubChem CID 79645598) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
PubChem CID79645598
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
SMILESCCCc1ccc(C(C)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H30N2/c1-6-7-15-8-10-16(11-9-15)14(2)19(5)13-17(3,4)12-18/h8-11,14H,6-7,12-13,18H2,1-5H3
InChIKeyKREWWTVKXYZZPD-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662952
1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
CID 116905803
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269
N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 43093654
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
dimethylamino-(4-propylphenyl)methanethiol
CID 116909375
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62984708

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine (CID 79645598) is N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine is CCCc1ccc(C(C)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is KREWWTVKXYZZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-15-8-10-16(11-9-15)14(2)19(5)13-17(3,4)12-18/h8-11,14H,6-7,12-13,18H2,1-5H3.
What are the key properties of N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79645598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).