2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol

C15H31NO — CID 114750822

IUPAC2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
SMILESCCCCCCCC(C)NCC1(CCO)CC1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-7-8-14(2)16-13-15(9-10-15)11-12-17/h14,16-17H,3-13H2,1-2H3
InChIKeyCQLDJBHAJDKFCV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.49
Rot. Bonds11

About 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114750822) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114750822
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
SMILESCCCCCCCC(C)NCC1(CCO)CC1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-7-8-14(2)16-13-15(9-10-15)11-12-17/h14,16-17H,3-13H2,1-2H3
InChIKeyCQLDJBHAJDKFCV-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
CID 103903995
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
N-[(1-ethylcyclopropyl)methyl]pentan-2-amine
CID 103903056
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
CID 102117969
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
CID 116534943
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol (CID 114750822) is 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol is CCCCCCCC(C)NCC1(CCO)CC1.
What is the InChIKey of 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is CQLDJBHAJDKFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-5-6-7-8-14(2)16-13-15(9-10-15)11-12-17/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 241.42 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).