N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

C14H19N3O — CID 97073207

IUPACN-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1ccoc1CNC[C@@H]1CCCn2ccnc21
InChIInChI=1S/C14H19N3O/c1-11-4-8-18-13(11)10-15-9-12-3-2-6-17-7-5-16-14(12)17/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeyOBQKZZXBTFCPNC-LBPRGKRZSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds4

About N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97073207) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID97073207
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1ccoc1CNC[C@@H]1CCCn2ccnc21
InChIInChI=1S/C14H19N3O/c1-11-4-8-18-13(11)10-15-9-12-3-2-6-17-7-5-16-14(12)17/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeyOBQKZZXBTFCPNC-LBPRGKRZSA-N
XLogP2.45
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97073207) is N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is Cc1ccoc1CNC[C@@H]1CCCn2ccnc21.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is OBQKZZXBTFCPNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-8-18-13(11)10-15-9-12-3-2-6-17-7-5-16-14(12)17/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97073207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).