1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

C17H30N4 — CID 62698202

IUPAC1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCCN(Cc1ncccn1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C17H30N4/c1-3-12-21(13-16-19-10-5-11-20-16)17(14-18)8-6-15(4-2)7-9-17/h5,10-11,15H,3-4,6-9,12-14,18H2,1-2H3
InChIKeyHORHXUXESFTJEZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.99
Rot. Bonds7

About 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 62698202) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID62698202
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCCN(Cc1ncccn1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C17H30N4/c1-3-12-21(13-16-19-10-5-11-20-16)17(14-18)8-6-15(4-2)7-9-17/h5,10-11,15H,3-4,6-9,12-14,18H2,1-2H3
InChIKeyHORHXUXESFTJEZ-UHFFFAOYSA-N
XLogP2.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (CID 62698202) is 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is CCCN(Cc1ncccn1)C1(CN)CCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is HORHXUXESFTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-12-21(13-16-19-10-5-11-20-16)17(14-18)8-6-15(4-2)7-9-17/h5,10-11,15H,3-4,6-9,12-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).