N-methyl-3-[(methylideneamino)methyl]pentan-1-amine

C8H18N2 — CID 166649822

IUPACN-methyl-3-[(methylideneamino)methyl]pentan-1-amine
SMILESC=NCC(CC)CCNC
InChIInChI=1S/C8H18N2/c1-4-8(7-10-3)5-6-9-2/h8-9H,3-7H2,1-2H3
InChIKeyMRCOBGCHQQGBKI-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.32
Rot. Bonds6

About N-methyl-3-[(methylideneamino)methyl]pentan-1-amine

N-methyl-3-[(methylideneamino)methyl]pentan-1-amine (PubChem CID 166649822) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-3-[(methylideneamino)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(methylideneamino)methyl]pentan-1-amine
PubChem CID166649822
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-3-[(methylideneamino)methyl]pentan-1-amine
SMILESC=NCC(CC)CCNC
InChIInChI=1S/C8H18N2/c1-4-8(7-10-3)5-6-9-2/h8-9H,3-7H2,1-2H3
InChIKeyMRCOBGCHQQGBKI-UHFFFAOYSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

4-ethyl-N-methylhexan-1-amine;hydrochloride
CID 122164420
(6Z)-3-ethyl-6-hydrazinylidene-N-methylheptan-1-amine
CID 138457612
4-ethyl-N-methylnonan-1-amine
CID 174361476
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754
N-methyl-3-(methyliminomethyl)pentan-1-amine
CID 143556278
N,3-dimethylpentan-1-amine;ethane
CID 142089517
3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
CID 118478770
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
N'-ethyl-N-methyl-N'-[3-(methylideneamino)propyl]propane-1,3-diamine
CID 89212435
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854
(8R)-3-ethyl-8-methoxy-N,7-dimethyldecan-1-amine
CID 163818827

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(methylideneamino)methyl]pentan-1-amine?
The IUPAC name of N-methyl-3-[(methylideneamino)methyl]pentan-1-amine (CID 166649822) is N-methyl-3-[(methylideneamino)methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-3-[(methylideneamino)methyl]pentan-1-amine?
The canonical SMILES for N-methyl-3-[(methylideneamino)methyl]pentan-1-amine is C=NCC(CC)CCNC.
What is the InChIKey of N-methyl-3-[(methylideneamino)methyl]pentan-1-amine?
The InChIKey is MRCOBGCHQQGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-8(7-10-3)5-6-9-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-[(methylideneamino)methyl]pentan-1-amine?
N-methyl-3-[(methylideneamino)methyl]pentan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(methylideneamino)methyl]pentan-1-amine is sourced from PubChem (CID 166649822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).