N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H28N2O — CID 62411687

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C16H28N2O/c1-13(2)9-17-10-14(3)11-18(15-6-7-15)12-16-5-4-8-19-16/h4-5,8,13-15,17H,6-7,9-12H2,1-3H3
InChIKeyKSLFDAVHZKARPW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.13
Rot. Bonds9

About N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62411687) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62411687
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C16H28N2O/c1-13(2)9-17-10-14(3)11-18(15-6-7-15)12-16-5-4-8-19-16/h4-5,8,13-15,17H,6-7,9-12H2,1-3H3
InChIKeyKSLFDAVHZKARPW-UHFFFAOYSA-N
XLogP3.13
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
1-N-cyclopentyl-1-N-(furan-2-ylmethyl)pentane-1,2-diamine
CID 102550766
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 65015644
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62411687) is N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCC(C)CN(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is KSLFDAVHZKARPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)9-17-10-14(3)11-18(15-6-7-15)12-16-5-4-8-19-16/h4-5,8,13-15,17H,6-7,9-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62411687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).