N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine

C14H28N2O — CID 103070042

IUPACN-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC1CC1)CN(CCOC)C(C)CC
InChIInChI=1S/C14H28N2O/c1-5-13(3)16(8-9-17-4)11-12(2)10-15-14-6-7-14/h13-15H,2,5-11H2,1,3-4H3
InChIKeySDGDWSOMSNXAGP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds10

About N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine

N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine (PubChem CID 103070042) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
PubChem CID103070042
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC1CC1)CN(CCOC)C(C)CC
InChIInChI=1S/C14H28N2O/c1-5-13(3)16(8-9-17-4)11-12(2)10-15-14-6-7-14/h13-15H,2,5-11H2,1,3-4H3
InChIKeySDGDWSOMSNXAGP-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069214
N-cyclopropyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
CID 103069901
3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
CID 103070598
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
N-[2-(2-methoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074416
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
N-[[2-[[butan-2-yl(2-methoxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462065
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070056
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propanamide
CID 55005245
2-N-butan-2-yl-1-N-cyclopentyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 62570553

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine (CID 103070042) is N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine is C=C(CNC1CC1)CN(CCOC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine?
The InChIKey is SDGDWSOMSNXAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-13(3)16(8-9-17-4)11-12(2)10-15-14-6-7-14/h13-15H,2,5-11H2,1,3-4H3.
What are the key properties of N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine?
N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).