N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine

C13H20N2O — CID 110338518

IUPACN-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
SMILESCCCCCOc1ccccc1/C=N/NC
InChIInChI=1S/C13H20N2O/c1-3-4-7-10-16-13-9-6-5-8-12(13)11-15-14-2/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/b15-11+
InChIKeyUPQOTUHNMQQPDU-RVDMUPIBSA-N
MW220.32 g/mol
LogP2.81
Rot. Bonds7

About N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine

N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine (PubChem CID 110338518) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
PubChem CID110338518
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
SMILESCCCCCOc1ccccc1/C=N/NC
InChIInChI=1S/C13H20N2O/c1-3-4-7-10-16-13-9-6-5-8-12(13)11-15-14-2/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/b15-11+
InChIKeyUPQOTUHNMQQPDU-RVDMUPIBSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(E)-(2-pentoxyphenyl)methylideneamino]thiourea
CID 110338496
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
1-[(E)-(2-heptoxyphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 110508310
1-ethenyl-2-heptadecoxybenzene
CID 139672731
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
1-cyclohexyl-3-[(Z)-(2-heptoxyphenyl)methylideneamino]thiourea
CID 110534061
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine (CID 110338518) is N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine is CCCCCOc1ccccc1/C=N/NC.
What is the InChIKey of N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine?
The InChIKey is UPQOTUHNMQQPDU-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-7-10-16-13-9-6-5-8-12(13)11-15-14-2/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/b15-11+.
What are the key properties of N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine?
N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110338518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).