N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine

C15H21N3O — CID 70938203

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
SMILESNCC1CCC(CNc2nc3ccccc3o2)CC1
InChIInChI=1S/C15H21N3O/c16-9-11-5-7-12(8-6-11)10-17-15-18-13-3-1-2-4-14(13)19-15/h1-4,11-12H,5-10,16H2,(H,17,18)
InChIKeyVXVFQJRYKCPNMI-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.00
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 70938203) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
PubChem CID70938203
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
SMILESNCC1CCC(CNc2nc3ccccc3o2)CC1
InChIInChI=1S/C15H21N3O/c16-9-11-5-7-12(8-6-11)10-17-15-18-13-3-1-2-4-14(13)19-15/h1-4,11-12H,5-10,16H2,(H,17,18)
InChIKeyVXVFQJRYKCPNMI-UHFFFAOYSA-N
XLogP3.00
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine (CID 70938203) is N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine is NCC1CCC(CNc2nc3ccccc3o2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is VXVFQJRYKCPNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-9-11-5-7-12(8-6-11)10-17-15-18-13-3-1-2-4-14(13)19-15/h1-4,11-12H,5-10,16H2,(H,17,18).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70938203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).