N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C16H28N2O — CID 63627373

IUPACN-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC1CCCN(Cc2ccc(CNC(C)C)o2)CC1
InChIInChI=1S/C16H28N2O/c1-13(2)17-11-15-6-7-16(19-15)12-18-9-4-5-14(3)8-10-18/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyMQYXAVXOUFGONB-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.40
Rot. Bonds5

About N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 63627373) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID63627373
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC1CCCN(Cc2ccc(CNC(C)C)o2)CC1
InChIInChI=1S/C16H28N2O/c1-13(2)17-11-15-6-7-16(19-15)12-18-9-4-5-14(3)8-10-18/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyMQYXAVXOUFGONB-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62434242
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62774837
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
2-methyl-N-[[5-[(4-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556853
N-[[5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62459300
N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
CID 62432812

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 63627373) is N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CC1CCCN(Cc2ccc(CNC(C)C)o2)CC1.
What is the InChIKey of N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is MQYXAVXOUFGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)17-11-15-6-7-16(19-15)12-18-9-4-5-14(3)8-10-18/h6-7,13-14,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63627373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).