N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine

C11H17N3O — CID 115601215

IUPACN-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(CCc1ccco1)NC1=NCCN1
InChIInChI=1S/C11H17N3O/c1-9(14-11-12-6-7-13-11)4-5-10-3-2-8-15-10/h2-3,8-9H,4-7H2,1H3,(H2,12,13,14)
InChIKeyLIWBFJXOTWPLRP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.15
Rot. Bonds4

About N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601215) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601215
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(CCc1ccco1)NC1=NCCN1
InChIInChI=1S/C11H17N3O/c1-9(14-11-12-6-7-13-11)4-5-10-3-2-8-15-10/h2-3,8-9H,4-7H2,1H3,(H2,12,13,14)
InChIKeyLIWBFJXOTWPLRP-UHFFFAOYSA-N
XLogP1.15
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
CID 43745442
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 99640763
2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953465
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381
(4S)-N-[4-(furan-2-yl)butan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247120
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601215) is N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine is CC(CCc1ccco1)NC1=NCCN1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LIWBFJXOTWPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(14-11-12-6-7-13-11)4-5-10-3-2-8-15-10/h2-3,8-9H,4-7H2,1H3,(H2,12,13,14).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).