3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine

C16H28N2O — CID 115134836

IUPAC3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
SMILESCC(C)Oc1ccc(CN(C)C(C)(C)CCN)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)19-15-8-6-14(7-9-15)12-18(5)16(3,4)10-11-17/h6-9,13H,10-12,17H2,1-5H3
InChIKeyOLAKPWJYSHOAJE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.03
Rot. Bonds7

About 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine

3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine (PubChem CID 115134836) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
PubChem CID115134836
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
SMILESCC(C)Oc1ccc(CN(C)C(C)(C)CCN)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)19-15-8-6-14(7-9-15)12-18(5)16(3,4)10-11-17/h6-9,13H,10-12,17H2,1-5H3
InChIKeyOLAKPWJYSHOAJE-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 115133454
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
CID 115119849
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783

Frequently Asked Questions

What is the IUPAC name of 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine?
The IUPAC name of 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine (CID 115134836) is 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine?
The canonical SMILES for 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine is CC(C)Oc1ccc(CN(C)C(C)(C)CCN)cc1.
What is the InChIKey of 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine?
The InChIKey is OLAKPWJYSHOAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)19-15-8-6-14(7-9-15)12-18(5)16(3,4)10-11-17/h6-9,13H,10-12,17H2,1-5H3.
What are the key properties of 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine?
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 115134836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).