1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine

C12H20N2 — CID 10797840

IUPAC1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-12(2,13)9-10-14(3)11-7-5-4-6-8-11/h4-8H,9-10,13H2,1-3H3
InChIKeyXSMBMBZAWITLMU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.25
Rot. Bonds4

About 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine

1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine (PubChem CID 10797840) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
PubChem CID10797840
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-12(2,13)9-10-14(3)11-7-5-4-6-8-11/h4-8H,9-10,13H2,1-3H3
InChIKeyXSMBMBZAWITLMU-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
CID 115200501
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 54807376
1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
CID 79810832
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
2-amino-2-methyl-3-(N-methylanilino)propan-1-ol
CID 64798650
N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride
CID 11500644
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine (CID 10797840) is 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine is CN(CCC(C)(C)N)c1ccccc1.
What is the InChIKey of 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine?
The InChIKey is XSMBMBZAWITLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,13)9-10-14(3)11-7-5-4-6-8-11/h4-8H,9-10,13H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine?
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine is sourced from PubChem (CID 10797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).