N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine

C15H28N2O — CID 55074599

IUPACN-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1ccc(CNC(C)C)o1
InChIInChI=1S/C15H28N2O/c1-5-6-7-10-17(4)12-15-9-8-14(18-15)11-16-13(2)3/h8-9,13,16H,5-7,10-12H2,1-4H3
InChIKeyAUQUDZSDYOYMMM-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.40
Rot. Bonds9

About N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine

N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine (PubChem CID 55074599) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
PubChem CID55074599
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1ccc(CNC(C)C)o1
InChIInChI=1S/C15H28N2O/c1-5-6-7-10-17(4)12-15-9-8-14(18-15)11-16-13(2)3/h8-9,13,16H,5-7,10-12H2,1-4H3
InChIKeyAUQUDZSDYOYMMM-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63210843
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62431328
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 169214911
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79491008
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
CID 105346938
N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine (CID 55074599) is N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine is CCCCCN(C)Cc1ccc(CNC(C)C)o1.
What is the InChIKey of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine?
The InChIKey is AUQUDZSDYOYMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-10-17(4)12-15-9-8-14(18-15)11-16-13(2)3/h8-9,13,16H,5-7,10-12H2,1-4H3.
What are the key properties of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine?
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine is sourced from PubChem (CID 55074599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).