N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine

C15H28N2O — CID 62432829

IUPACN,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
SMILESCC(C)NCc1ccc(CN(C)C(C)C(C)C)o1
InChIInChI=1S/C15H28N2O/c1-11(2)13(5)17(6)10-15-8-7-14(18-15)9-16-12(3)4/h7-8,11-13,16H,9-10H2,1-6H3
InChIKeyKZHTWYYBTJQFNX-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.25
Rot. Bonds7

About N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine

N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine (PubChem CID 62432829) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
PubChem CID62432829
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
SMILESCC(C)NCc1ccc(CN(C)C(C)C(C)C)o1
InChIInChI=1S/C15H28N2O/c1-11(2)13(5)17(6)10-15-8-7-14(18-15)9-16-12(3)4/h7-8,11-13,16H,9-10H2,1-6H3
InChIKeyKZHTWYYBTJQFNX-UHFFFAOYSA-N
XLogP3.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79491008
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63210843
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62431328
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide
CID 114235035

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine (CID 62432829) is N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine is CC(C)NCc1ccc(CN(C)C(C)C(C)C)o1.
What is the InChIKey of N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The InChIKey is KZHTWYYBTJQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)13(5)17(6)10-15-8-7-14(18-15)9-16-12(3)4/h7-8,11-13,16H,9-10H2,1-6H3.
What are the key properties of N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine?
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62432829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).