N-methyl-3-(methyliminomethyl)pentan-1-amine

C8H18N2 — CID 143556278

IUPACN-methyl-3-(methyliminomethyl)pentan-1-amine
SMILESCCC(/C=N/C)CCNC
InChIInChI=1S/C8H18N2/c1-4-8(7-10-3)5-6-9-2/h7-9H,4-6H2,1-3H3/b10-7+
InChIKeyARAIIOWSTQPZGX-JXMROGBWSA-N
MW142.25 g/mol
LogP1.32
Rot. Bonds5

About N-methyl-3-(methyliminomethyl)pentan-1-amine

N-methyl-3-(methyliminomethyl)pentan-1-amine (PubChem CID 143556278) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-3-(methyliminomethyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(methyliminomethyl)pentan-1-amine
PubChem CID143556278
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-3-(methyliminomethyl)pentan-1-amine
SMILESCCC(/C=N/C)CCNC
InChIInChI=1S/C8H18N2/c1-4-8(7-10-3)5-6-9-2/h7-9H,4-6H2,1-3H3/b10-7+
InChIKeyARAIIOWSTQPZGX-JXMROGBWSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
N-methyl-4-(methyliminomethyl)hexan-3-amine
CID 134172139
N-methyl-3-[(methylideneamino)methyl]pentan-1-amine
CID 166649822
N,3-dimethylpentan-1-amine;ethane
CID 142089517
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
CID 143945019
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
(Z)-2-ethylbutylidenehydrazine
CID 101206874
2-benzyl-N-methylbutan-1-imine
CID 86171705
1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
CID 175965155
N,4,7-trimethyl-2-propylnonan-1-imine
CID 163631549
N-[1-(methylamino)pentan-3-yl]formamide
CID 143111562

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methyliminomethyl)pentan-1-amine?
The IUPAC name of N-methyl-3-(methyliminomethyl)pentan-1-amine (CID 143556278) is N-methyl-3-(methyliminomethyl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-(methyliminomethyl)pentan-1-amine?
The canonical SMILES for N-methyl-3-(methyliminomethyl)pentan-1-amine is CCC(/C=N/C)CCNC.
What is the InChIKey of N-methyl-3-(methyliminomethyl)pentan-1-amine?
The InChIKey is ARAIIOWSTQPZGX-JXMROGBWSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-8(7-10-3)5-6-9-2/h7-9H,4-6H2,1-3H3/b10-7+.
What are the key properties of N-methyl-3-(methyliminomethyl)pentan-1-amine?
N-methyl-3-(methyliminomethyl)pentan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methyliminomethyl)pentan-1-amine is sourced from PubChem (CID 143556278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).