5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine

C14H25NO — CID 115653275

IUPAC5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
SMILESCc1ccoc1CNCCCCC(C)(C)C
InChIInChI=1S/C14H25NO/c1-12-7-10-16-13(12)11-15-9-6-5-8-14(2,3)4/h7,10,15H,5-6,8-9,11H2,1-4H3
InChIKeySUKJFJKSMKLUPK-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.89
Rot. Bonds6

About 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine

5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine (PubChem CID 115653275) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
PubChem CID115653275
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
SMILESCc1ccoc1CNCCCCC(C)(C)C
InChIInChI=1S/C14H25NO/c1-12-7-10-16-13(12)11-15-9-6-5-8-14(2,3)4/h7,10,15H,5-6,8-9,11H2,1-4H3
InChIKeySUKJFJKSMKLUPK-UHFFFAOYSA-N
XLogP3.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115651689
N-tert-butyl-3-[(3-methylfuran-2-yl)methylamino]propanamide
CID 113243125
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651871
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
CID 115652579
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
CID 115751882
2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
CID 115683798
3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
CID 111466539
methyl 2,2-dimethyl-3-[(3-methylfuran-2-yl)methylamino]propanoate
CID 75501532

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine?
The IUPAC name of 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine (CID 115653275) is 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine?
The canonical SMILES for 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine is Cc1ccoc1CNCCCCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine?
The InChIKey is SUKJFJKSMKLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-7-10-16-13(12)11-15-9-6-5-8-14(2,3)4/h7,10,15H,5-6,8-9,11H2,1-4H3.
What are the key properties of 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine?
5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 115653275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).