N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine

C16H28N2 — CID 116950082

IUPACN,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
SMILESCCCc1ccc(C(CC(C)(C)CN)NC)cc1
InChIInChI=1S/C16H28N2/c1-5-6-13-7-9-14(10-8-13)15(18-4)11-16(2,3)12-17/h7-10,15,18H,5-6,11-12,17H2,1-4H3
InChIKeyLLZBNFSBZDUXJU-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.27
Rot. Bonds7

About N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine

N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine (PubChem CID 116950082) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
PubChem CID116950082
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
SMILESCCCc1ccc(C(CC(C)(C)CN)NC)cc1
InChIInChI=1S/C16H28N2/c1-5-6-13-7-9-14(10-8-13)15(18-4)11-16(2,3)12-17/h7-10,15,18H,5-6,11-12,17H2,1-4H3
InChIKeyLLZBNFSBZDUXJU-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 116950062
1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950118
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
1-(1,3-benzodioxol-5-yl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950084
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine?
The IUPAC name of N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine (CID 116950082) is N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine?
The canonical SMILES for N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine is CCCc1ccc(C(CC(C)(C)CN)NC)cc1.
What is the InChIKey of N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine?
The InChIKey is LLZBNFSBZDUXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-6-13-7-9-14(10-8-13)15(18-4)11-16(2,3)12-17/h7-10,15,18H,5-6,11-12,17H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine?
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116950082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).