N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

C15H25N3 — CID 103069837

IUPACN-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CC)Cc1ccncc1
InChIInChI=1S/C15H25N3/c1-5-18(11-14(4)10-17-13(2)3)12-15-6-8-16-9-7-15/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyPDICGDOPPOTFCB-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.46
Rot. Bonds8

About N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 103069837) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID103069837
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CC)Cc1ccncc1
InChIInChI=1S/C15H25N3/c1-5-18(11-14(4)10-17-13(2)3)12-15-6-8-16-9-7-15/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyPDICGDOPPOTFCB-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.46
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

propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62431127
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 103069837) is N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is C=C(CNC(C)C)CN(CC)Cc1ccncc1.
What is the InChIKey of N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is PDICGDOPPOTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-18(11-14(4)10-17-13(2)3)12-15-6-8-16-9-7-15/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103069837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).