N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C17H29N3O — CID 116778841

IUPACN-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOC1(c2ncc(CNCC(C)C)cn2)CCCCCC1
InChIInChI=1S/C17H29N3O/c1-14(2)10-18-11-15-12-19-16(20-13-15)17(21-3)8-6-4-5-7-9-17/h12-14,18H,4-11H2,1-3H3
InChIKeyWZKIVCMUCNADSQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds6

About N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116778841) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID116778841
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOC1(c2ncc(CNCC(C)C)cn2)CCCCCC1
InChIInChI=1S/C17H29N3O/c1-14(2)10-18-11-15-12-19-16(20-13-15)17(21-3)8-6-4-5-7-9-17/h12-14,18H,4-11H2,1-3H3
InChIKeyWZKIVCMUCNADSQ-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde
CID 116731008
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208708
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965435
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 116778841) is N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is COC1(c2ncc(CNCC(C)C)cn2)CCCCCC1.
What is the InChIKey of N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WZKIVCMUCNADSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)10-18-11-15-12-19-16(20-13-15)17(21-3)8-6-4-5-7-9-17/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116778841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).