1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol

C13H25NO3 — CID 62086788

IUPAC1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
SMILESCOC1CCCC1NCC(O)COCC1CC1
InChIInChI=1S/C13H25NO3/c1-16-13-4-2-3-12(13)14-7-11(15)9-17-8-10-5-6-10/h10-15H,2-9H2,1H3
InChIKeySTJRMQADNLPPJA-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.93
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol (PubChem CID 62086788) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
PubChem CID62086788
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
SMILESCOC1CCCC1NCC(O)COCC1CC1
InChIInChI=1S/C13H25NO3/c1-16-13-4-2-3-12(13)14-7-11(15)9-17-8-10-5-6-10/h10-15H,2-9H2,1H3
InChIKeySTJRMQADNLPPJA-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 54955680
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 62088573
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 55033366
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
N-(cyclopropylmethyl)-2-methoxycyclohexan-1-amine
CID 43756809
1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
CID 59975026
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
CID 110911162

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol (CID 62086788) is 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol is COC1CCCC1NCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The InChIKey is STJRMQADNLPPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-13-4-2-3-12(13)14-7-11(15)9-17-8-10-5-6-10/h10-15H,2-9H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 62086788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).