N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine

C13H22N2O — CID 63208501

IUPACN-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)c1ccoc1
InChIInChI=1S/C13H22N2O/c1-2-3-7-15(12-4-5-12)13(9-14)11-6-8-16-10-11/h6,8,10,12-13H,2-5,7,9,14H2,1H3
InChIKeyCXGMNMQBURLKMP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds7

About N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine

N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 63208501) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID63208501
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)c1ccoc1
InChIInChI=1S/C13H22N2O/c1-2-3-7-15(12-4-5-12)13(9-14)11-6-8-16-10-11/h6,8,10,12-13H,2-5,7,9,14H2,1H3
InChIKeyCXGMNMQBURLKMP-UHFFFAOYSA-N
XLogP2.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 106885648
N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
N-butyl-1-(3-chloro-5-fluorophenyl)-N-cyclopropylethane-1,2-diamine
CID 114453317
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63208354
1-(4-bromo-5-methylthiophen-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 102838731
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
N-cyclopropyl-N-propyl-1-pyridin-3-ylethane-1,2-diamine
CID 43270152

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine (CID 63208501) is N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine is CCCCN(C1CC1)C(CN)c1ccoc1.
What is the InChIKey of N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is CXGMNMQBURLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-7-15(12-4-5-12)13(9-14)11-6-8-16-10-11/h6,8,10,12-13H,2-5,7,9,14H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine?
N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63208501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).