N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

C13H26N2 — CID 103070705

IUPACN-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CC)CC1CC1
InChIInChI=1S/C13H26N2/c1-5-15(10-13-6-7-13)9-12(4)8-14-11(2)3/h11,13-14H,4-10H2,1-3H3
InChIKeyXWCMWAPRWBQTLH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds8

About N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103070705) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103070705
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CC)CC1CC1
InChIInChI=1S/C13H26N2/c1-5-15(10-13-6-7-13)9-12(4)8-14-11(2)3/h11,13-14H,4-10H2,1-3H3
InChIKeyXWCMWAPRWBQTLH-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79716490
1-[cyclopropylmethyl(ethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336221
N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 103069837
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812
1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
CID 103070964
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
2-(cyclopentylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074903

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (CID 103070705) is N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(CC)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is XWCMWAPRWBQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-15(10-13-6-7-13)9-12(4)8-14-11(2)3/h11,13-14H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103070705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).