N-methyl-1-propylazepan-2-imine

C10H20N2 — CID 130445092

IUPACN-methyl-1-propylazepan-2-imine
SMILESCCCN1CCCCC/C1=N\C
InChIInChI=1S/C10H20N2/c1-3-8-12-9-6-4-5-7-10(12)11-2/h3-9H2,1-2H3/b11-10+
InChIKeySMWDAJDRTBCZQO-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds2

About N-methyl-1-propylazepan-2-imine

N-methyl-1-propylazepan-2-imine (PubChem CID 130445092) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-1-propylazepan-2-imine.

Molecular Properties

Compound NameN-methyl-1-propylazepan-2-imine
PubChem CID130445092
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-1-propylazepan-2-imine
SMILESCCCN1CCCCC/C1=N\C
InChIInChI=1S/C10H20N2/c1-3-8-12-9-6-4-5-7-10(12)11-2/h3-9H2,1-2H3/b11-10+
InChIKeySMWDAJDRTBCZQO-ZHACJKMWSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373548
(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373547
cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol
CID 54243327
1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
CID 173181742
1-butyl-N-(2-phenylcyclopentyl)azepan-2-imine
CID 21395118
1-propyl-1,3-diazepane-2-thione
CID 154491724
1-butyl-2-sulfanylideneazonan-4-one
CID 101180234
1-butyl-2-sulfanylideneazecan-4-one
CID 101180238
methanol;1-propylpiperidine
CID 171515121
1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
CID 3080000
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propylazepan-2-imine?
The IUPAC name of N-methyl-1-propylazepan-2-imine (CID 130445092) is N-methyl-1-propylazepan-2-imine.
What is the SMILES notation for N-methyl-1-propylazepan-2-imine?
The canonical SMILES for N-methyl-1-propylazepan-2-imine is CCCN1CCCCC/C1=N\C.
What is the InChIKey of N-methyl-1-propylazepan-2-imine?
The InChIKey is SMWDAJDRTBCZQO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-8-12-9-6-4-5-7-10(12)11-2/h3-9H2,1-2H3/b11-10+.
What are the key properties of N-methyl-1-propylazepan-2-imine?
N-methyl-1-propylazepan-2-imine has a molecular weight of 168.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propylazepan-2-imine is sourced from PubChem (CID 130445092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).