N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine

C11H24N2O — CID 103152779

IUPACN'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine
SMILESCOC(CN)CCNCCCC1CC1
InChIInChI=1S/C11H24N2O/c1-14-11(9-12)6-8-13-7-2-3-10-4-5-10/h10-11,13H,2-9,12H2,1H3
InChIKeyRRZGBDHZNCVYRA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.13
Rot. Bonds9

About N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine

N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine (PubChem CID 103152779) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine
PubChem CID103152779
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine
SMILESCOC(CN)CCNCCCC1CC1
InChIInChI=1S/C11H24N2O/c1-14-11(9-12)6-8-13-7-2-3-10-4-5-10/h10-11,13H,2-9,12H2,1H3
InChIKeyRRZGBDHZNCVYRA-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 55300002
(2-Methoxyethyl)[(2-methylcyclopropyl)methyl]amine
CID 57723016
4-methyl-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 60765519
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
2-methoxy-N-[[(1S,2S)-2-methylcyclopropyl]methyl]ethanamine
CID 67422336
2-methoxy-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine
CID 69505352
7-Cyclopropyl-2-ethyl-1,4-oxazepane
CID 124141452
3-methoxy-N,2-dimethylhexan-1-amine
CID 145628977
2-methoxy-N-methyl-N-[[2-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 146330360
7-Cyclopropyl-2-ethyl-1,4-oxazepane;hydrochloride
CID 155759240
N-[(2R)-2-cyclopropyl-2-methoxyethyl]-2-methylpropan-1-amine
CID 167273950
N-(2-cyclopropyl-2-methoxyethyl)-2-methylpropan-1-amine
CID 167274040

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine?
The IUPAC name of N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine (CID 103152779) is N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine.
What is the SMILES notation for N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine?
The canonical SMILES for N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine is COC(CN)CCNCCCC1CC1.
What is the InChIKey of N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine?
The InChIKey is RRZGBDHZNCVYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-14-11(9-12)6-8-13-7-2-3-10-4-5-10/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine?
N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine is sourced from PubChem (CID 103152779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).