[1-[(propan-2-ylamino)methyl]cyclopropyl]methanol

C8H17NO — CID 115454398

IUPAC[1-[(propan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(C)NCC1(CO)CC1
InChIInChI=1S/C8H17NO/c1-7(2)9-5-8(6-10)3-4-8/h7,9-10H,3-6H2,1-2H3
InChIKeyBTKNVRBVYVPJSC-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds4

About [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol

[1-[(propan-2-ylamino)methyl]cyclopropyl]methanol (PubChem CID 115454398) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(propan-2-ylamino)methyl]cyclopropyl]methanol
PubChem CID115454398
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[1-[(propan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(C)NCC1(CO)CC1
InChIInChI=1S/C8H17NO/c1-7(2)9-5-8(6-10)3-4-8/h7,9-10H,3-6H2,1-2H3
InChIKeyBTKNVRBVYVPJSC-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol (CID 115454398) is [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol is CC(C)NCC1(CO)CC1.
What is the InChIKey of [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is BTKNVRBVYVPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-5-8(6-10)3-4-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
[1-[(propan-2-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(propan-2-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).