N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine

C15H24N2O — CID 66324064

IUPACN-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
SMILESc1cc(CCCCNC2CC2)c(CNC2CC2)o1
InChIInChI=1S/C15H24N2O/c1(2-9-16-13-4-5-13)3-12-8-10-18-15(12)11-17-14-6-7-14/h8,10,13-14,16-17H,1-7,9,11H2
InChIKeyLIZVUWPWKXYDGZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.61
Rot. Bonds9

About N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine

N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine (PubChem CID 66324064) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
PubChem CID66324064
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
SMILESc1cc(CCCCNC2CC2)c(CNC2CC2)o1
InChIInChI=1S/C15H24N2O/c1(2-9-16-13-4-5-13)3-12-8-10-18-15(12)11-17-14-6-7-14/h8,10,13-14,16-17H,1-7,9,11H2
InChIKeyLIZVUWPWKXYDGZ-UHFFFAOYSA-N
XLogP2.61
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 64522663
N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431615
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 106887612

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine (CID 66324064) is N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine is c1cc(CCCCNC2CC2)c(CNC2CC2)o1.
What is the InChIKey of N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine?
The InChIKey is LIZVUWPWKXYDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1(2-9-16-13-4-5-13)3-12-8-10-18-15(12)11-17-14-6-7-14/h8,10,13-14,16-17H,1-7,9,11H2.
What are the key properties of N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine?
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66324064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).