(3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol

C12H23NO — CID 123734166

IUPAC(3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol
SMILESC=CC(C)(C)C(C)NC(O)C1(C)CC1
InChIInChI=1S/C12H23NO/c1-6-11(3,4)9(2)13-10(14)12(5)7-8-12/h6,9-10,13-14H,1,7-8H2,2-5H3
InChIKeySKVPMAJAQUBWEU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.30
Rot. Bonds5

About (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol

(3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol (PubChem CID 123734166) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol
PubChem CID123734166
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol
SMILESC=CC(C)(C)C(C)NC(O)C1(C)CC1
InChIInChI=1S/C12H23NO/c1-6-11(3,4)9(2)13-10(14)12(5)7-8-12/h6,9-10,13-14H,1,7-8H2,2-5H3
InChIKeySKVPMAJAQUBWEU-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(But-3-enylamino)-3,3-dimethylbutan-1-ol
CID 57591314
[1-[(Pent-4-enylamino)methyl]cyclopropyl]methanol
CID 115454803
N-[2-(2-methoxyethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641150
N-[2-(2-butoxyethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641168
N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641187
4-(Hex-5-en-2-ylamino)-3,3-dimethylbutan-1-ol
CID 104582858
[1-[(Hex-5-en-2-ylamino)methyl]cyclopropyl]methanol
CID 104582881
2-Ethyl-2-[(hex-5-en-2-ylamino)methyl]butan-1-ol
CID 104583554
4,4-Dimethyl-3-(pent-4-enylamino)pentan-1-ol
CID 104627994
3-(Hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
CID 104925900
4-(But-3-enylamino)-3,3-dimethylbutan-1-ol
CID 106146522
4-(But-3-en-2-ylamino)-3,3-dimethylbutan-1-ol
CID 106146559

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol?
The IUPAC name of (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol (CID 123734166) is (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol.
What is the SMILES notation for (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol?
The canonical SMILES for (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol is C=CC(C)(C)C(C)NC(O)C1(C)CC1.
What is the InChIKey of (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol?
The InChIKey is SKVPMAJAQUBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-11(3,4)9(2)13-10(14)12(5)7-8-12/h6,9-10,13-14H,1,7-8H2,2-5H3.
What are the key properties of (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol?
(3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol has a molecular weight of 197.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpent-4-en-2-ylamino)-(1-methylcyclopropyl)methanol is sourced from PubChem (CID 123734166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).