(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine

C18H30N4 — CID 26390837

IUPAC(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine
SMILESCc1nc(N2CCCCCCC2)ncc1[C@H](C)NCC1CC1
InChIInChI=1S/C18H30N4/c1-14(19-12-16-8-9-16)17-13-20-18(21-15(17)2)22-10-6-4-3-5-7-11-22/h13-14,16,19H,3-12H2,1-2H3/t14-/m0/s1
InChIKeyYIPSBWAGHIEONV-AWEZNQCLSA-N
MW302.47 g/mol
LogP3.62
Rot. Bonds5

About (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine

(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine (PubChem CID 26390837) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine
PubChem CID26390837
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine
SMILESCc1nc(N2CCCCCCC2)ncc1[C@H](C)NCC1CC1
InChIInChI=1S/C18H30N4/c1-14(19-12-16-8-9-16)17-13-20-18(21-15(17)2)22-10-6-4-3-5-7-11-22/h13-14,16,19H,3-12H2,1-2H3/t14-/m0/s1
InChIKeyYIPSBWAGHIEONV-AWEZNQCLSA-N
XLogP3.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine (CID 26390837) is (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine is Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NCC1CC1.
What is the InChIKey of (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine?
The InChIKey is YIPSBWAGHIEONV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4/c1-14(19-12-16-8-9-16)17-13-20-18(21-15(17)2)22-10-6-4-3-5-7-11-22/h13-14,16,19H,3-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine?
(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine has a molecular weight of 302.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 26390837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).