2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine

C15H28N2O — CID 107473290

IUPAC2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1ccco1)NCC(CN)CC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-12(8-14-6-5-7-18-14)17-11-13(10-16)9-15(2,3)4/h5-7,12-13,17H,8-11,16H2,1-4H3
InChIKeyZIDWPFBCJFBOQG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.81
Rot. Bonds7

About 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine (PubChem CID 107473290) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
PubChem CID107473290
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1ccco1)NCC(CN)CC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-12(8-14-6-5-7-18-14)17-11-13(10-16)9-15(2,3)4/h5-7,12-13,17H,8-11,16H2,1-4H3
InChIKeyZIDWPFBCJFBOQG-UHFFFAOYSA-N
XLogP2.81
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
CID 65108451
3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide
CID 103369752
2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
CID 83138308
1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
CID 81102507
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 79527667
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62998125

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine (CID 107473290) is 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine is CC(Cc1ccco1)NCC(CN)CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine?
The InChIKey is ZIDWPFBCJFBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(8-14-6-5-7-18-14)17-11-13(10-16)9-15(2,3)4/h5-7,12-13,17H,8-11,16H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine has a molecular weight of 252.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 107473290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).