1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine

C18H33N3 — CID 62623357

IUPAC1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
SMILESCCCNC(CCN(CC)Cc1ccncc1)C(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-11-20-17(18(3,4)5)10-14-21(7-2)15-16-8-12-19-13-9-16/h8-9,12-13,17,20H,6-7,10-11,14-15H2,1-5H3
InChIKeyXDHNORFWVURSFE-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.71
Rot. Bonds9

About 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine

1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine (PubChem CID 62623357) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
PubChem CID62623357
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
SMILESCCCNC(CCN(CC)Cc1ccncc1)C(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-11-20-17(18(3,4)5)10-14-21(7-2)15-16-8-12-19-13-9-16/h8-9,12-13,17,20H,6-7,10-11,14-15H2,1-5H3
InChIKeyXDHNORFWVURSFE-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430423
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
CID 106799552
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62612946
1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
CID 63494801

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine (CID 62623357) is 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine is CCCNC(CCN(CC)Cc1ccncc1)C(C)(C)C.
What is the InChIKey of 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine?
The InChIKey is XDHNORFWVURSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-11-20-17(18(3,4)5)10-14-21(7-2)15-16-8-12-19-13-9-16/h8-9,12-13,17,20H,6-7,10-11,14-15H2,1-5H3.
What are the key properties of 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine?
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 62623357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).